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Просмотр составных рисунков

Просмотр составных рисунков, содержащих спектральные и иные функции молекул и слабосвязанных молекулярных комплексов

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Год Подпись к графику Оригинальное изображение Количество графиков в составном рисунке Размер составного рисунка
1951

Figure 7a. Atmospheric transmission, 1 to 5.5 μ ; visual transmission (0.61 μ)  60% per sea mile; water content 17 mm.
Figure 7b. Atmospheric transmission, 7.5 to 14 μ; visual transmission (0.61 μ) 60% per sea mile; water content 17 mm.

1 x 2 800 x 1080
1962

Figure 2. The frequency dependence of the absorption coefficient α for  oxygen (curve A) and nitrogen (curve B).

1 x 2 960 x 1080
1968
Burch D.E.,
Absorption of infrared radiant energy by CO2 and H2O. III. Absorption by H2O between 0.5-36 cm-1 (278-2 cm).,
Journal of Optical Society of America, 1968, Volume 58, no. 10, Pages 1383-1394,
DOI: https://doi.org/10.1364/JOSA.58.001383.

Figure 6. Comparison of observed and calculated transmittances in the 18-36 cm-1 region for representative samples of H20 and H20+N2. The observed values are represented by data points.  Calculated values of Tonic (v) with the instrumental response  function taken into account are represented by the solid lines, and calculated true transmittance T'(v) by the short-dashed lines, D and F. The long-dashed curves, A, E, and H represent TnIc (v)  with the following modifications to the parameters: Panel I,  Curve A, the contribution by the continuum was not included. Panel II, Curve E, the absorption coefficient was increased by 10% at all wavenumbers. Panel IV, Curve H, the self-broadening factor  Be for the continuum was assumed to be 5 instead of 13. The sample parameters are
Sample     u            p             P
No.      ( g/cm2)    (atm)       (atm)
 1          0.105       0.0117     0.95
 2          0.205       0.0116     0.95
 3          0.200       0.0075     0.133
 4          0.587       0.0226     0.0226
 

1 x 4 800 x 1080
1969

Figure 6. Boltzmann-weighted Lorentzian curve fitted to the (0-0) 1Δg3Σg- continuum band at 300° and 87°K. The solid line is the empirical profile and the curve indicated by dots in the data.

1 x 2 960 x 1080
1969

Figure 7. Boltmann-weighted Lorentzian curves fitted to the 2 components of the (1-0) 1Δg3Σg-- band at 87° and 300°K. The dashed curves are calculated for the individual components and the solid curve is the sum of these. The curve with dots gives the experimental data.

1 x 2 960 x 1080
1969

Figure 1. Spectra of the (0-0) band of the 1Δg + 1Δ3Σg-+3Σg- simultaneous transition. The pathlength is 168 m. The slitwidth is 1 cm-1. The oxygen desnity is 2.1 amagats at both temperatures. The tick mark indicates the band origin calculated from free-molecule spectroscopic constants.

1 x 2 960 x 1080
1969

Figure 2. Spectra of the (1-0) band of the 1Δg + 1Δ3Σg-+3Σg-- a simultaneous path length tranSItion. of 122 m The and a upper slitwidth spectrum of about was 1.2 recorded cm-1. with  The  lower spectrum was recorded with a path length of 168 m and a  slitwldth of about 2.5 cm-1. The oxygen density was 2.1 amagats at both temperatures. The tick mark indicates the band origin calculated from the spectroscopic constants of the free molecule.

1 x 2 960 x 540
1971
L. Mannik, J. C. Stryland, H. L. Welsh,
An Infrared Spectrum of CO2 Dimers in the "Locked" Configuration,
Canadian Journal of Physics, 1971, Volume 49, Issue 23, Pages 3056-3057,
DOI: 10.1139/p71-364.

Figure 1. The (v1, 2v2) infrared  band of CO2. (a) Ob- served   spectrum (I = 56 m, ρ = 0.92 amagat, T = 1920K). (b) Profile with the (v1, 2v2) band of C16O18O removed. (c) Calculated pressure-induced   profile for free-free collisions. (d) (= (b) - (c))  Spectrum ascribed to the (CO2)2 dimer. (e) The v1d band with  assignments of the maxima.

1 x 2 640 x 1080
1974
Dagg I.R., Reesor. G.E., and Urbaniak J. ,
Collision Induced Microwave Absorption in CO2, and CO2-Ar, CO2-CH4 Mixtures in the 2.3 cm-1 Region,
Canadian Journal of Physics, 1974, Volume 52, Issue 11, Pages 973,
DOI: 10.1139/p74-133.

 Figure 6.  A plot of the absorption coefficient a(v)  divided by v2 vs. v, showing a solid line through the  experimental results for a2(v)/v2 of Ho et al. (1971),  Frenkel and Woods (1966). and the present results, and a dotted line through the results of Birnbaum et al. (1971) and the present result for a3(v)/v2.

2 x 1 1280 x 480
1979
Zavody A.M., Emery R.J., Gebbie H.A.,
Temperature dependence of atmospheric absorption in the wavelength range 8-14 um,
Nature, 1979, Volume 277, Pages 462-463.

Figure 1. Curves a-a’ and b-b’ show observed anomalous absorption values for mean temperatures of 281 and 290 K respectively, reduced to a water vapour density of 4.8 g m-3. The estimated error is ±0.02 dB km-1. Curves A-A’ and B-B’ are the corresponding temperature dependence values expressed as the exponent B in equation (1), with a maximum estimated error ±0.04 eV per molecule (at 12.6 μm wavelength). Curve l-l’ shows laboratory values from Ref.3 scaled to 290 K and density 4.8 g m-3, and L-L’ is the corresponding laboratory temperature dependence. Curve m-m’ shows a monomer model spectrum from the data in Table 1, for 290 K and density 4.8 g m-3. The values given by P and Q are taken from Ref.1, and apply to the temperature range 258 to 299 K.
[1]. Coffey, M.T., Quat. Jour. Res. Met. Soc, 103, 685-692 (177)
[3] Burch D.E., Proc. Am. Met. Soc, Conference on Atmospheric Radiation, Fort Collins, Colorado, 7-9 August (1972)

 

1 x 2 800 x 960
1980
Simpson O. A. , Bohlander R. A. ,Gallagher J. J. , Perkowitz S.,
Measurements of far-infrared water vapor absorption between lines with an optically pumped laser,
Journal of Physical Chemistry, A, 1980, Volume 84, no. 14, Pages 1753-1755,
DOI: 10.1021/j100451a001.
1 x 2 800 x 1080
1982
Gebbie H.A.,
Resonant absorption by water polymers in the atmosphere,
Nature, 1982, Volume 296, Pages 422-424.

Figure 1.  Predicted spectra for fogs comprising molecular absorption and particle loss computed from standard models; corresponding to visibilities of 50 (dotted line), 10 (dashed line) and 150 (solid line) m. Spectra observed in the atmosphere corresponding to the models. The standard deviation in the measured spectra is 3 dB km-1. In such fogs the liquid drops are all small compared with the wavelengths and show Rayleigh region behavior in which attenuation varies monotonically. Nether this component nor equilibrium dimers can accounr for the observed additional structure between monomer lines.

1 x 2 800 x 960
1982
M. Tanaka, T. Nakazawa and M. Fukabori,
Absorptions of the ρστ, 0.8 μm and a bands of the water vapor,
Journal of Quantitative Spectroscopy and Radiative Transfer, 1982, Volume 28, Issue 6, Pages 463-470,
DOI: 10.1016/0022-4073(82)90012-7.

Figure 1.  Predicted spectra for fogs comprising molecular absorption and particle loss computed from standard models; corresponding to visibilities of 50(…), 10(---) and 150(___) m. Spectra observed in the atmosphere corresponding to the models. The standard deviation in the measured spectra is 3 dB km-1. In such fogs the liquid drops are all small compared with the wavelengths and show Rayleigh region behavior in which attenuation varies monotonically. Nether this component nor equilibrium dimers can accounr for the observed additional structure between monomer lines.

1 x 2 640 x 960
1984
N. I. Furashov, V. Yu. Katkov and V. Ya. Ryadov,
On the anomalies in submillimeter absorption spectrum of atmospheric water vapor,
International Journal of Infrared and Millimeter Waves, 1984, Volume 5, Issue 7, Pages 971-984,
DOI: 10.1007/BF01009586.

Figure 1. Results of our laboratory measurements in comparison with laboratory investigations of (30) and theoretical data (ρ=19 g.m-3, T=25.5oC, P =730 Torr ). Our total absorption (A) and excess one (B) are shown by circles. Theoretical values for water vapor monomers (chain-dot curve), excess absorption spectrum (30) (solid curve) and theoretical dimer absorption (7) (dotted curve) are shown as well.
[7]. A.A.Viktorova, S.A.Zhevakin,DAN USSR, v.194, 540 (1970).
[30].  R.J. Emery, P .Moffat, R.A. Bohlander, H. A. Gebbie, J. Atm.Terr.Phys. v.7,587 (1975).

1 x 2 800 x 960
1984
N. I. Furashov, V. Yu. Katkov and V. Ya. Ryadov,
On the anomalies in submillimeter absorption spectrum of atmospheric water vapor,
International Journal of Infrared and Millimeter Waves, 1984, Volume 5, Issue 7, Pages 971-984,
DOI: 10.1007/BF01009586.

Figure 2. Our results of field measurements as compared with field investigation (30) and the theory (r =8.5 g.m-3, T=8.5o C, P= 727 Torr). Our total absorption (A) and excess one (B) are shown by circles. All the data are shown as in Figure 1. (A) and excess one (B) are shown by circles. Theoretical values for water vapor monomers (chain-dot curve),excess absorption spectrum (30) (solid curve) and theoretical dimer absorption (7) (dotted curve) are shown as well.
[7]. A.A.Viktorova, S.A.Zhevakin, DAN USSR, v.194, 540 (1970).
[30]. R.J. Emery, P. Moffat, R.A. Bohlander, H.A. Gebbie, J. Atm. Terr. Phys. v.7,587 (1975).

1 x 2 800 x 960
1985

Figure 3. A plot of A(v)/ρ2 versus the frequency (cm-1) measured using an FIR interferometer and indicated by the solid curve. The results are displayed for the four different temperatures used: (a) 212 K, (b) 179 K, (c) 149 K, (d) 126 K. In each case the laser measurements at 84.2 and 15.1 cm-1 are shown. Also shown are the theoretical line shapes generated using Mori theory (dashed line) as discussed in the text. In (d) the results of Buontempo et al. (10) are given for comparison.

2 x 2 1300 x 840
1985
Liebe H.J.,
An updated model for millimetre wave propagation in moist air,
Radio Science, 1985, Volume 20, no. 5, Pages 1069-1089,
DOI: 10.1029/RS020i005p01069.

Figure 8. Water vapor attenuation rates α(v) across atmospheric window range W4 at two temperatures, 5o and -10o C; pluses, measured data [Fedoseev and Koukin, 1984]; lines, MRM.

2 x 1 1360 x 480
1986
Borysow, Aleksandra; Frommhold, Lothar,
Collision-induced rototranslational absorption spectra of N2-N2 pairs for temperatures from 50 to 300 K,
The Astrophysical Journal, 1986, Volume 311, Pages 1043-1057,
DOI: 10.1086/164841.

Figure 2. Far-infrared absorption spectrum of N2-N2 at (a) 126, 149, and 179 K and (b) 228.3 and 300 K. Open circles, experimental data at (a) 124K, and (b) 300K of Buentempo et.al. (1975).  Filled circles, squaries and triangles denote new results (Stone et al. 1984; Dagg et al. 1985). Lines, fitted spectrum, with the Ling and Rigby isotropic  potential  (see Appendix) and the dipole parameters given in Table 3. In (a), the scale is shifted by a factor of 2 at each temperature.

2 x 1 1300 x 800
1987

Figure 1. Pure N2 absorption spectrum at 297 and 149 K: ... , experimental data from ref. 7; ----. best fit; - - -, hexadecapolar component. Vertical bars indicate typical uncertainties for the experimental points. At 297K, the best-fit parameters are SΦnn = 1690 K-Å6, δ0nn = 19.6 cm-1, S0nn = 49 K-A", and δΦnn = 34.5 cm-1.  At 149 K, s:, = 1915 K-Å6, δ0nn = 15 cm-1: SΦnn = 47 K-Å6, and δΦnn = 23.5 cm-1.

2 x 1 1360 x 800
1987

Figure 2. Pure N2 absorption spectra at 140 and 93 K: ... , experimental data from ref. 9; ----, computed spectra multiplied by a normalizing factor F (F = 0.93 at 140 K and 1.12 at 93 K); ---, computed 90-K spectrum from ref. 5 (multiplied by a factor of 2 because of a different definition of the absorption coefficient).

2 x 1 1360 x 800
1987
Hinderling J., Sigrist M.W., Kneubuhl F.K.,
Laser-photoacoustic spectroscopy of water-vapor continuum and line absorption in the 8 to 14-μm atmospheric window,
Infrared Physics & Technology, 1987, Volume 27, no. 2, Pages 63-120,
DOI: 10.1016/0020-0891(87)90013-3.

Figure 19. Measured temperature dependence of the pressure quadratic coefficients Cs of the continuum absorption at the (a) 10P(20), (b) 10P(24) and (c) 10P(30) CO2-laser emissions. Dashed lines correspond to least square fits based on equation (25). Solid lines correspond to best fits on the basis of equation (29).Dimer model: Suck S.H., Kassner J.L., Jr., Jamaguchi J. Water clusters interpretation of IR absorption spectra in the 8-14 μm wavelength region Appl.Opt. 18, No.15, 2609-2617 (1979).

1 x 3 800 x 1440
1987
Hinderling J., Sigrist M.W., Kneubuhl F.K.,
Laser-photoacoustic spectroscopy of water-vapor continuum and line absorption in the 8 to 14-μm atmospheric window,
Infrared Physics & Technology, 1987, Volume 27, no. 2, Pages 63-120,
DOI: 10.1016/0020-0891(87)90013-3.

Figure 20. Measured temperature dependence of the pressure quadratic coefficients Cs of the continuum absorption at the (a) 10P(20), (b) 10P(24), (c) 10P(30) and (d) 10P(38) CO2-laser emissions. Solid lines represent best fits on the basis of equation (29).

2 x 2 1360 x 960
1987
Hinderling J., Sigrist M.W., Kneubuhl F.K.,
Laser-photoacoustic spectroscopy of water-vapor continuum and line absorption in the 8 to 14-μm atmospheric window,
Infrared Physics & Technology, 1987, Volume 27, no. 2, Pages 63-120,
DOI: 10.1016/0020-0891(87)90013-3.

Figure 24. Temperature dependence of the pressure quadratic coefficients Cs of the continuum absorption for the (a) 10P(20) and (b) 10P(24) CO2-laser emissions. Solid lines represent best fits on the basis of equations (26) and (29).

1 x 2 800 x 960
1987

Figure 3. A comparison between a calculated and experimental carbon dioxide dimer spectrum. The calculated spectrum was obtained using the rotational constants given in Table II. Although most of the features in the spectrum are properly accounted for there are some extra transitions in the observed spectrum, most likely associated with the parallel band. A very accurate fit to the spectrum was not possible due to what appears to be a staggering of the K band origins due to tunneling.

1 x 2 1500 x 800
1989

 Figure 3. Comparison of calculated and observed spectra for the 2.0 μm (a) and 1.6 μm (b) CO2 bands. - Measured spectra; o - present work profiles; --- sub-Lorentzian profile.

1 x 2 640 x 960
1990

Figure 1. Observed spectra of the enhancement by N2 of the collision-induced fundamental band of H2 at 77 K, recorded with a total gas density of about 1.3 amagats and a path length of 154 m. The upper curve (a) is for para-H2 and the lower curve (b) for normal H2. The broad underlying absorption is due to collision-induced absorption in H2-N2 collision pairs. Of interest here is the sharper structure, concentrated near the peak of each collision-induced line, which is due to bound H2-N2 complexes.

2 x 1 1360 x 800
1990
Thomas M.E.,
Infrared and millimetre-wavelength absorption in the atmospheric windows by water vapour and nitrogen: measurements and models,
Ifrared Physics, 1990, Volume 30, Pages 161-174,
DOI: 10.1016/0020-0891(90)90027-S.

Figure 8. The 4-μm continuum region at T = 296 K. (a) Cs vs wavenumber [27] and (b) the absorption coefficient vs wavelength.[37,38].
[27] D. E. Burch and R. L. Alt, AFGL-TR-84-0128, Ford Aerospace and Communications Corporation, Aeronutronic Division (1984).
[37] K. O. White, W. K. Watkins, C. W. Bruce, R. E. Meredith and F. G. Smith, Appl. Opr. 17, 2711 (1978)
[38] F. S. Mills. Dissertation. The Ohio State University (1975).

1 x 2 640 x 960
1995
M.J. Weida, J.M. Sperhac, D.J. Nesbitt.,
High-resolution infrared diode laser spectroscopy of (CO2)3: Vibrationally averaged structures, resonant dipole vibrational shifts, and tests of CO2–CO2 pair potentials,
The Journal of Chemical Physics, 1995, Volume 103, Issue 18,
DOI: 10.1063/1.470291.

Figure 10. Unidentified  Q-branch  like  absorptions  in  the  observed (CO2)2+(CO2)3 spectrum. The features labeled QA and QB clearly do not belong to the dimer or cyclic trimer. Moreover, they are within 0.4 cm-1 of the predicted vibrational origin of the trimer asymmetric top isomer from model potentials. Overlap of (CO2)3 transitions with the head of both QA and QB is coincidental (conditions: 1.8% CO2 in He,P0=1 bar)

1 x 2 960 x 1080
1998
David A. Newnham, John Ballard,
Visible absorption cross sections and integrated absorption intensities of molecular oxygen (O2 and O4),
Journal of Geophysical Research, 1998, Volume 103, no. D22, Pages 28,801,
DOI: 10.1029/98JD02799.

Figure 10. Net binary absorption cross sections  of the O4 visible bands for 1000 hPa pure oxygen at (a) 223 K and (b) 283 K. Figures 210c and 310d show the cross sections corrected for the O2 -γ-band absorption in the 630.0 nm region for Figures 10a and 110b, respectively. Standard deviations of the cross sections are shown on an expanded scale below each of Figures 10a-310d.

2 x 2 1080 x 640
1998

Figure 5. (a) D2O cluster spectra as a function of source pressure. Scans are taken at 10, 15, 25, 35, and 45 p.s.i. absolute pressure. Scans are taken at 10, 15, 25, 35, and 45 p.s.i. absolute pressure. Note to two uppermost pressure scans are plotted with the same offset to highlight the ‘‘bulk ice’’ feature that appears for the highest source pressure. (b) D2O cluster spectra obtained with a constant source pressure ~35 psia! and increasing concentration of water in the carrier gas.

1 x 2 960 x 1680
2000

Figure 5. (A) Evolution in ν3 region of a CO2/Ar mixture (1/10 000) kept at 30 K during different time lapses (t).: (a) t=0; (b) t =10 min; (c) t = 20 min; (d) t = 30 min; (e) t = 45 min; (B) comparison of a spectrum of 13CO2/Ar sample (1/10 000) in the ν3 region recorded at  11 K after deposition at 20 K with a spectrum recorded at 11 K after annealing at 30 K. M: monomer; : band due to N2 impurity. D', D" dimer; P pair; X not assigned.

1 x 2 960 x 1080
2001
Tiedje, H.F., DeMille, S., MacArthur, L. and Brooks, R.L.,
Cavity ring-down spectroscopy of transient O2-O2 dimers ,
Canadian Journal of Physics, 2001, Volume 79, Issue 4, Pages 773-781,
DOI: 10.1139/p01-042, https://doi.org/10.1139/p01-042.

Figure 3. CRDS spectra of (O2)2 a(0; 0)← X(0; 0) (top) and a(0; 1)← X(0; 0) (bottom) at three higher densities.

1 x 2 960 x 1080
2001
Tiedje, H.F., DeMille, S., MacArthur, L. and Brooks, R.L.,
Cavity ring-down spectroscopy of transient O2-O2 dimers ,
Canadian Journal of Physics, 2001, Volume 79, Issue 4, Pages 773-781,
DOI: 10.1139/p01-042, https://doi.org/10.1139/p01-042.

Figure 3. Portion of observed (CO2)2+(CO2)3 infrared spectrum including central a -type Q-branch of  (CO2)2. Note resolved P-branch transitions for (CO2)3. The P-branch transitions are labeled only for subbands where KN≥15 (conditions: 1.8% CO2 in He, P0=1.0 bar).

1 x 4 960 x 540
2001
Tiedje, H.F., DeMille, S., MacArthur, L. and Brooks, R.L.,
Cavity ring-down spectroscopy of transient O2-O2 dimers ,
Canadian Journal of Physics, 2001, Volume 79, Issue 4, Pages 773-781,
DOI: 10.1139/p01-042, https://doi.org/10.1139/p01-042.

Figure 4. Portion of observed (CO2)2 +(CO2)3. Note 3:1 spacing of (CO2)3 Q-branches, and sharp appearance of the (CO2)3 rQ0-branch due to l-type doubling (conditions: 1.8% CO2 in He, P0=1 bar).

1 x 4 960 x 540
2002
T. Tassaing, Y. Danten, M. Besnard,
Infrared spectroscopic study of hydrogen-bonding in water at high temperature and pressure,
Journal of Molecular Liquids, 2002, Volume 101, Issue 1–3, Pages 149-158,
DOI: 10.1016/S0167-7322(02)00089-2.

Figure 3. Infrared spectrum in the OH stretching region of supercritical water at T=380C as function of pressure (density) in the range 200-250 bar (0.1-0.4 g.cm-3). The calculated characteristic frequencies of the OH stretching mode of small water clusters are reported for comparison.

1 x 2 800 x 1080
2002
T. Tassaing, Y. Danten, M. Besnard,
Infrared spectroscopic study of hydrogen-bonding in water at high temperature and pressure,
Journal of Molecular Liquids, 2002, Volume 101, Issue 1–3, Pages 149-158,
DOI: 10.1016/S0167-7322(02)00089-2.

Figure 2. Evolution of the OH anti-symmetric (ν3) and symmetric (Vi) stretching modes, and of the bending mode (ν2) of supercritical water at T=380°C as a function of pressure (density) in the range 25-180 bar (0.01-0.1 g.cm-3). (B) Infrared band intensities (Km.mol-1) associated with the OH stretching and bending modes of small cyclic water clusters as calculated by DFT methods (see text).

1 x 2 800 x 1080
2003

Figure 2. The O2–O2 collision-induced absorption cross-section at room temperature from the UV to the NIR. Assignments and vibrational levels of the bands are also shown.

1 x 2 1280 x 1024
2004
Eric G. Diken, William H. Robertson, and Mark A. Johnson,
The Vibrational Spectrum of the Neutral (H2O)6 Precursor to the “Magic” (H2O)6-Cluster Anion by Argon-Mediated, Population-Modulated Electron Attachment Spectroscopy,
Journal of Physical Chemistry, A, 2004, Volume 108, Issue 1, Pages 64-68,
DOI: 10.1021/jp0309973.

Figure 3. Comparison between vibrational predissociation spectra of (a) (H2O)6-‚ Ar7, reproduced from ref 23, and (b) the neutral (H2O)6 complex, obtained by argon-mediated, population-modulated electron attachment

1 x 2 640 x 800
2004

Figure 1. Temperature effect on some bands of (H218O)2 trapped in Ne (Ne/H218O=800). Spectra recorded at 8 K (lower traces) and 4 K (upper traces) after annealing at 10 K. M: Q(1)-type line of 2ν1 of the monomer.

3 x 2 1620 x 800
2005

Figure 2. Water vapor absorption in the OH stretching fundamental. Points with error bars stand for experimental data from [9]. Light, dash, and solid traces refer to the monomer, dimer, and resulting spectral profiles, respectively.

1 x 3 800 x 1800
2006
J. Thievin, Y. Cadudal, R. Georges, A.A. Vigasin,
 Direct FTIR high resolution probe of small and medium size Arn(CO2)m van der Waals complexes formed in a slit supersonic expansion,
Journal of Molecular Spectroscopy, 2006, Issue 2, Pages 141-152.

Table 5. Comparison between observation (experimental conditions #5) and simulation. The intensity of the simulated bands were adjusted to match the observed ones

1 x 5 960 x 1080
2006

Figure 4. The absorption profiles of the O2 - O2 feature near 477 nm at 294 K, 230 K and 184 K. Residuals from a comparison to a model function are shown as well. Further details are given in Section 2.5.

1 x 3 1920 x 1080
2006

Figure 5. The absorption profiles of the O2-O2 feature near 577 nm at 294 K taken from Ref. [2], 268 and 190 K. Residuals from a fit to a model function as discussed in Section 2.5 are shown as well.

1 x 3 1920 x 1080
2006

Figure 1. Depletion spectra of NH3 panel a and H2O panel b single molecules and clusters in He droplets of about 3500 atoms with an average number of about 1.5 and 2 captured molecules per droplet, respectively. Vertical dashed lines give the frequencies of the vibrational band origins of monomers. Sharp rovibrational lines of monomers are assigned Refs. 25 and 26. Additional strong bands are assigned to the absorption of the (NH3)k and (H2O)k clusters, which have been enhanced by hydrogen bonding. Cluster size, k, is indicated by numbers. Spectral peaks a – d in panel b are assigned to the dangling OH bonds of water clusters of different size.

1 x 2 1920 x 1080
2006
Susumu Kuma, Mikhail N. Slipchenko, Kirill E. Kuyanov, Takamasa Momose, and  Andrey F. Vilesov,
Infrared Spectra and Intensities of the H2O and N2 Complexes in the Range of the ν1- and ν3-Bands of Water,
Journal of Physical Chemistry, A, 2006, Volume 110, Issue 33, Pages 10046-10052,
DOI: 10.1021/jp0624754.

Figure 1. Depletion spectra of the N2-H2O complexes in the range of the ν3 band of H2O in He droplets. Pickup pressures: panel (a) PH2O ) 3*10-6 mbar, PN2 = 0; panel (b) PH2O=3  10-6 mbar, PN2 = 9*10-6 mbar. Panel (c) shows spectrum (b) with the contribution of spectrum (a) subtracted. This has been scaled to eliminate H2O linesfrom the spectrum. Smooth curves are Gaussian fits as described in the text. The origin of the ν3 band of H2O in He droplets is marked by the vertical dashed line. Pickup pressure dependences of the intensity of the peaks marked in panel (b) by arrows are shown in Figure 2.

1 x 3 1920 x 1080
2006
Susumu Kuma, Mikhail N. Slipchenko, Kirill E. Kuyanov, Takamasa Momose, and  Andrey F. Vilesov,
Infrared Spectra and Intensities of the H2O and N2 Complexes in the Range of the ν1- and ν3-Bands of Water,
Journal of Physical Chemistry, A, 2006, Volume 110, Issue 33, Pages 10046-10052,
DOI: 10.1021/jp0624754.

Figure 3. Depletion spectra of the N2-H2O complexes in the range of the î1 band of H2O in He droplets. Pickup pressures: panel (a) P(H2O) = 6*10-6 mbar, P(N2) = 0; panel (b) P(H2O) = 6*10-6 mbar, P(N2) = 9*10-6 mbar; panel (c) P(H2O) = 6*10-6 mbar, P(N2) = 1.8*10-5 mbar. Smooth curves are Gaussian fits as described in the text. The spectra were measured with a collimated laser beam, which gave about a factor of 5 larger effective laser energy flux, as compared with measurements in Figure 1. The origin of the î1 band of H2O in He droplets is marked by the vertical dashed line.

1 x 3 1920 x 1080
2007

Figure 1. Potential energy as a function of the intermolecular distance R for  some selected conformations of the dimer, (θN2a; θH2/N2b; Φ) = (90°; 90°; 0°) for H, (0°, 0°, 0°) for L, (90°, 90°, 90°) for X, (90°, 0°, 0°) for Ta and (0°, 90°, 0°) for Tb, of N2–H2 (left panel) and N2–N2 (right panel).

2 x 1 1360 x 800
2008
A.A. Vigasin, Y. Jin and S. Ikawa,
On the water dimer contribution to the OH stretching absorption band profile in pressurized water vapour,
Molecular Physics, 2008, Volume 106, Issue 9-10, Pages 1155-1159,
DOI: 10.1080/00268970802021353.

Figure 2. Typical examples of the spectral fit for the 650K isotherm

1 x 3 960 x 1720
2008
Lee M.S., Baletto F., Kanhere D.G., Scandolo S.,
Far-infrared absorption of water clusters by first-principles molecular dynamics ,
Journal of Chemical Physics, 2008, Volume 128, Issue 21, Pages 214506,
DOI: 10.1063/1.2933248.

Figure 4. Calculated far-IR absorption spectra per molecule for the tetramer and the hexamer

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2009

Figure 4. (Color online) Expanded portion of the (H2O)2 spectrum shown in Fig. 3. The smooth curve is a smoothed representation of the structured classical spectrum. The vertical lines represent the nearly exact quantum energies (and not intensities) from Ref. 13, described in detail in the text.

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2010

Figure 3. Parts of the infrared spectra of H2O/Ne = 1/140 matrix recorded at 3 K before and after annealing at 12.5 K (lower and upper trace, respectively). Sample deposited at 6 K for 6 h at 15 mmol/h. (a–d) Regions 3d, mOHb + d, 2msOHb and 3mOHf, respectively. Note that the mOHb + d region (b) is subdivided in two parts, one relating to ms, the other to ma. The decrease of the signal to noise ratio in (d) after annealing is due to noticeable decrease of the transmission. PA, PD: dimer; Tri: trimer; P: (H2O)n, n > 3.

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2011

Figure 1. Evolution of the spectrum of water trapped in N2 in the regions 5120–5170 (lower frame) and 7190–7150 cm-1 (upper frame) as a function of the 18O/16O isotopic ratio: (a) 0, (b) 1, (c) 3. Lower frame: the isotopic varieties of PA and PD are reported in this order. Upper frame: for natural water the fit of the dimer absorptions in the range 7185–7175 cm-1 has been reported.

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2011

Figure 2.  Identification of ST’s in Ne matrix at 3K. Lower trace: 16O/18O decoupling effect for the resonant (ν2 + ν3)PDMST(ν2PA + ν3PD) transitions. 18O/16O isotopic ratios of (a) 0, (b) 0.2, (c) 5. The isotopic varieties of PA and PD are reported in this order. Upper trace: ST(ν1PA + ν1PD) observed at 7251.5 cm-1 in absence of resonance. R(0), P(1), Q(1): rovibrational transitions of H2O monomer.

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2011

Figure 1. Parts of the infrared spectrum of a H2O/Ne = 1/150 matrix recorded at 3 K at the resolution of 1 cm-1 in the P6 and P8 domains. Sample deposited at 5.8 K for 6 h at a rate of 7 mmol/h. Tri: water trimer. (b) Spectra recorded before (upper trace) and after annealing at 12 K (lower trace).

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2011

Figure 3. Spectrum of H2O trapped in Ne in the P5 region. Same conditions of deposition as for Fig. 1. (a) Spectra recorded at the resolution of 0.5 cm-1. (b) Spectra recorded before (upper trace) and after annealing at 12 K (lower trace).

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2011

Figure 4. Local-monomer IR spectra in the OH-stretch region of the indicated isomers of the hexamer obtained with the local-monomer model

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2011

Figure 6. Local-monomer IR spectra of intramolecular modes of the lowest energy isomer of the indicated cluster.

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2012

Figure 1. Comparison of the spectrum of the dipole time correlation function ◦calculated at 400C with the experimental IR spectrum. The experimental data in (a) by Tassaing et al. (Ref. 6) are taken at 380C with 0.009 g cm−3 and those by Vigasin et al. (Ref. 7) at 377C with 0.0105 g cm−3. In (b), the data by Tassaing et al. are at 380C with 0.04 g cm−3 and those by Vigasin et al. are at 377C with 0.0405 g cm−3. The calculated spectrum is shifted by 50 cm−1 to the higher frequency for comparison of the line shape to the experimental one.

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2013

Figure 2. The observed dimer spectrum (a). The ab intio calculated [21]  dimer spectrum [(b) upper trace]. The water vapor continuum absorption measured in moist nitrogen [28] at atmospheric pressure (d). The calculated collision-induced absorption [32] [(c) lower trace], the absorption is shown multiplied by factor of 1000 to make it visible). All spectra correspond to water vapor at 13 Torr and 296 K.
[21] Y. Scribano and C. Leforestier, J. Chem. Phys. 126, 234301 (2007).
[28] M. A. Koshelev, E. A. Serov, V. V. Parshin, and M. Yu. Tretyakov, J. Quant. Spectrosc. Radiat. Transfer 112, 2704 (2011).
[32] C. Leforestier, R. H. Tipping, and Q. Ma, J. Chem. Phys. 132, 164302 (2010).

 

3 x 1 750 x 480
2013
Thalman, R. and Volkamer, R.,
Temperature dependent absorption cross-sections of O2–O2 collision pairs between 340 and 630 nm and at atmospherically relevant pressure,
Physical Chemistry Chemical Physics, 2013, Volume 15, Issue 37, Pages 15371-15381.,
DOI: 10.1039/c3cp50968k.

Figure 4. Comparison of peak and integrated cross-sections to available literature values at four wavelengths

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2014

Figure 2. Collision-induced absorption spectrum (in cm−1 /amagat2 ) of N2 by N2 (a) at 149 K, (b) at 228 K, and (c) at 296 K, as obtained from measurements12, 13 (circles) and from the CMDS calculations using the present ab initio dipole moment and the intermolecular potential of Ref. 16 (continuous lines). The error bars correspond to ± 10%.

1 x 3 640 x 1340
2014
T Földes, T Vanfleteren, M Herman,
Communication: A rotationally resolved (2OH) overtone band in the water dimer (H2O)2,
Journal of Chemical Physics, 2014, Volume 141, Issue 11, Pages 111103,
DOI: 10.1063/1.4896163.

Figure 2. Focus on the rotational structure of the (H2O)2 band observed around 7256.5 cm−1 in the cw-CRDS spectra of a supersonic expansion of H2O in Ne, Ar, and Kr carrier gases. Monomer lines and H2O-rare gas lines are also observed. The simulated structure is presented at the bottom.

1 x 4 960 x 1680
2015
M. Yu. Tretyakov, A. A. Sysoev, T. A. Odintsova, and A. A. Kyuberis,
COLLISION-INDUCED DIPOLE MOMENT AND MILLIMETER AND SUBMILLIMETER CONTINUUM ABSORPTION IN WATER VAPOR,
Radiophysics & Quantum Electronics, 2015, Volume 58, no. 4,
DOI: 10.1007/s11141-015-9600-7.

Figure 5. (a) The frequency dependence of studied absorption (17), which was obtained in this paper using truncated line forms (12) and (14) (on this scale, they merge into one dotted curve 1) and the spectrum taken from [12] solid curve 2) for a frequency range of 0 to 500 cm−1 at T = 300 K. (b) Fragment of the spectra in a frequency range of 0 to 10 cm−1. Line form (12) corresponds to the lower curve 3, and line form (14), to the upper curve 4.

2 x 1 1360 x 480
2015
Olga B. Rodimova,
Continuum water vapor absorption in the 4000–8000 cm-1 region,
Proc. SPIE 9680, 21st International Symposium Atmospheric and Ocean Optics: Atmospheric Physics,
SPIE - The international society for optical engineering, 2015, Pages 968002,
DOI: 10.1117/12.2205332.

Table 6. Experimental Н2О self-continuum (T =296 K) versus predicted absorption spectra of bound and metastable dimers1 and present calculations for the  5200–5500 cm-1 band. The black dots are the experimental data, the triangles are the stable dimer absorption coefficients,  and the gray curves represent the calculated results using the κLorχ line shape. The frequency step is 50 cm-1.

3 x 1 1920 x 480
2015
Ruslan E. Asfin, Jeanna V. Buldyreva, Tatyana N. Sinyakova, Daniil V. Oparin, Nikolai N. Filippov,
Evidence of stable van der Waals CO2 clusters relevant to Venus atmosphere conditions,
Journal of Chemical Physics, 2015, Volume 142, Issue 5, Pages 051101,
DOI: 10.1063/1.4906874.

Figure 1. Transmittances recorded in the ν1/2ν2 Fermi dyad region at 300 K. (a) Pure CO2 gas. Increasing gas pressure induces, simultaneously, a rise of the collision-induced absorption and a transformation of the dimeric bands. The gas pressures are converted into densities in amagat (Table II of Ref. 11).
(b) 14.9-amagat CO2 mixed with various quantities of Ar. The absorption induced by collisions of CO2 monomers with Ar atoms has only a small influence on the band shape evolution which is dominated by the dimer signatures.

1 x 2 960 x 1080
2015
T.E. Klimeshina, O.B. Rodimova,
Water-vapor foreign-continuum absorption in the 8–12 and 3–5 μm atmospheric windows,
Journal of Quantitative Spectroscopy and Radiative Transfer, 2015, Volume 161, Pages 145–152,
DOI: 10.1016/j.jqsrt.2015.04.005.

Figure 1. Н2О–N2 absorption coefficient in the 8–20 μm region. The full circles are the measured data from [7], the open circles are the calculated data from [19], and the curve is the calculation from [16]; Θ=296 (a)and 430K (b).
[7] Burch DE, Alt RL. Continuum absorption by H
2O in the 700–1200 cm-1 and 2400–2800 cm-1 windows. Scientific report no. 1. AFGL-TR-84-0128; 1984.
[16] Ma Q, Tipping RH. The density matrix of H2O–N
2 in the coordinate representation: a Monte Carlo calculation of the far-wing line shape. J Chem Phys 2000;112:574–84.
[19] Rodimova OB. Theoretical researches of the absorption and photo-chemistry processes and their application in radiation codes of theclimate models [Thesis]. Dokt Phys-Math Sci Tomsk; 2003.

2 x 1 1360 x 480
2017
Daniil V. Oparin, Nikolai N. Filippov, I. M. Grigoriev, Alexander P Kouzov,
Effect of stable and metastable dimers on collision-induced rototranslational spectra: Carbon dioxide – rare gas mixtures,
Journal of Quantitative Spectroscopy and Radiative Transfer, 2017, Volume 196, Pages 87-93,
DOI: 10.1016/j.jqsrt.2017.04.002.

Figure 7. Spectral functions for the CO2–Ar (a) and CO2–Xe (b) systems: experimental (dots) and calculated data (curves). Experimental data for the infrared region are taken from Ref. [33]. The insert in Fig. 7(a) shows details of the spectral function in the microwave region with the experimental data obtained for the following wavenumbers: 0.8 [39], 2.3 [40], 4.6 and 15.1 cm-1 [41].

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2017
Daniil V. Oparin, Nikolai N. Filippov, I. M. Grigoriev, Alexander P Kouzov,
Effect of stable and metastable dimers on collision-induced rototranslational spectra: Carbon dioxide – rare gas mixtures,
Journal of Quantitative Spectroscopy and Radiative Transfer, 2017, Volume 196, Pages 87-93,
DOI: 10.1016/j.jqsrt.2017.04.002.

Figure 5. Spectral function components for the CO2–Ar (a) and CO2–Xe systems (b) at 296 K. The curves show the contributions from collisions responsible for the formation of stable (1) and metastable (2) dimers and ordinary collisions (3).

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2017

Figure 1. Left (a):  χ-function calculated by Eq. (10) with the use of the parameters A=20 and Δνwing=11 cm-1 as a function of the detuning frequency.  Right (b): Lorentz profile with a half-width of 5 *10-3 cm-1 (150 MHz) (bold solid line); the same profile with the wings cut off at the  ±25 cm-1 detuning and the cut-off line “brought down” to the zero level (as in the CKD model) (thin solid line); the latter profile with the added wings, which are calculated by Eq. (8) using the χ-function shown on Fig.1a is presented by the dashed line.

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2017

Figure 2. Experimental spectra of the water vapor continuum bands at 1600 cm-1 from the paper [17] approximated by the model including the contribution from the water dimers and the empirically calculated contribution from the line wings.The dots are the experimental data,the bold solid curve represents the model, the bold dashed curve, the thin dashed curve,and the thin solid curve are the contributions from the bound dimers,metastable dimers,and line wings, respectively. (a) The contribution from the line wings is calculated using Eqs. (8)–(10). A=32 for the 1600 cm-1 band , Δνwing=11 cm-1 for the both bands. (b) The contribution from the line wings is calculated using Eqs. (8)–(10). A=18.5 for the 3600 cm-1 band, Δνwing=11 cm-1 for the both bands.

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2017

Figure 3. Experimental spectra of the H2O continuum in far infrared [31]  range approximated by the model allowing for the contribution from the water dimers and the empirically calculated contribution from the line wings.The dots are the experimental data,the bold solid curve represents the model,the bold dashed curve,the thin dashed curve,and the thin solid curve are the contributions from the bound dimers,metastable dimers,and line wings, respectively. (a)The contribution from the line wings calculated by using Eqs. (8)–(10). A=14  for the left-hand  panel,and Δνwing=11 cm-1 in both cases. P=1 atm. T=296 K. (b) The contribution from the line wings calculated by using Eqs. (8)–(10). A=14  for the left-hand  panel,and Δνwing=11 cm-1 in both cases. P=1 atm. T=296 K.

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INTAS grants 00-189, 03-51-3394, гранты РФФИ 02-07-90139, 05-07-90196, 08-07-00318, 13-07-00411