Том 25, номер 05, статья № 1

Аннотация:

Исследовано воздействие дипольного момента, возникающего при изотопозамещении одного из атомов кислорода в спектроскопически активной молекуле, на столкновительные полуширины линий колебательно-вращательных переходов полосы ν₃ для случая возмущения основной изотопной модификацией ¹⁶O¹²C¹⁶O. Для расчетов самоуширения линий изотопных модификаций углекислого газа использованы два метода: полуэмпирический и полуклассический. В рамках обоих методов выявлено небольшое, но вполне наблюдаемое изменение полуширин линий для изотопных модификаций.

Ключевые слова:

контур спектральных линий, самоуширение линии

Список литературы:

1. Margottin-Maclou M., Dahoo P., Henry A., Valentin A., Henry L. Self-, N₂, and O₂-broadening parameters in the v₃ and v₁ + v₃ bands of ¹²C¹⁶O₂ // J. Mol. Spectrosc. 1988. V. 131, N 1. P. 21-35.
2. Cousin C., Doucen R., Houdeau J.P., Boulet C., Henry A. Air broadened linewidths, intensities, and spectral line shapes for CO₂ at 4.3 µm in the region of the AMTS instrument // Appl. Opt. 1986. V. 25, N 14. P. 2434-2439.
3. Devi V.M., Fridovich B., Jones G.D., Snyder D.G.S. Diode Laser Measurements of Strengths, Half-Widths, and Temperature Dependence of Half-Widths for COP Spectral Lines near 4.2 µm // J. Mol. Spectrosc. 1984. V. 105, N 1. P. 61-69.
4. Mandin J.-Y., Dana V., Badaoui M., Barbe A., Hamdouni A., Plateaux J.-J. Measurements of Pressure-Broadening and Pressure-Shifting Coefficients from FT Spectra // J. Mol. Spectrosc. 1994. V. 164, N 2. P. 328-337.
5. Thibault F., Boissoles J., Doucen R., Bouanich J.P., Arcas Ph., Boulet C. Pressure induced shifts of CO₂ lines: Measurements of in the 00⁰3-00⁰0 band and theoretical analysis // J. Chem. Phys. 1992. V. 96, N 7. P. 4945-4953.
6. Arie E., Lacome N., Arcas P., Levy A. Oxygen- and air-broadened linewidths of CO₂ // Appl. Opt. 1986. V. 25, N 15. P. 2584-2591.
7. Valero F.P.J., Suarez C., Boese R.W. Absolute intensities and pressure broadening coefficients measured at different temperatures for the 201_II←000 band of ¹²C¹⁶O₂ at 4978 cm^-1 // J. Quant. Spectrosc. and Radiat. Transfer. 1980. V. 23, N 3. P. 337-341.
8. Eng R.S., Mantz A.W. Tunable diode laser spectroscopy of CO, in the 10- to 15-µm spectral region-lineshape and Q-branch head absorption profile // J. Mol. Spectrosc. 1979. V. 74, N 3. P. 331-344.
9. Predoi-Cross A., May A.D., Vitcu A., Drummond J.R., Hartmann J.-M., Boulet C. Brodening and line mixing in the 20⁰0 ← 01¹0, 11¹0 ← 00⁰0 and 1220 ← 0110 Q-branches of carbon dioxide: experimental results and energy corrected sudden modeling // J. Chem. Phys. 2004. V. 120, N 22. P. 10520-10529.
10. Predoi-Cross A., Luo C., Berman R., Drummond J.R., May A.D. Line strengths, self-broadening, and line-mixing in the 20⁰0←01¹0 (∑←Ω) Q-branch of carbon dioxide //J.Chem.Phys.2000.V.112,N19.P.8367-8377. 
11. Mandin J.-Y., Dana V., Allout M.-Y., Regalia L., Bar-be A., Plateaux J.-J. Line intensities and self-broadening coefficients in the 10012-10001 band of ¹²C¹⁶O₂ centered at 2224.657 cm^-1 // J. Mol. Spectrosc. 1995. V. 170, N 2. P. 604-607.
12. Dana V., Mandin J.-Y., Guelachvili G., Kou Q., Morillon-Chapey M., Watson R.B., Rothman L.S. Intensities and self-broadening coefficients of ¹²C¹⁶O₂ lines in the laser band region // J. Mol. Spectrosc. 1992. V. 152, N 2. P. 328-341.
13. Dana V., Valentin A. Determination of line parameters from FTS spectra // Appl. Opt. 1988. V. 27, N 21. P. 4450-4453.
14. Henry A., Dahoo P., Valentin A. Line strengths and self-broadening parameters of the ¹²C¹⁶O₂ (10⁰1)_I ← (10⁰0)_II transition // Appl. Opt. 1986. V. 25, N 19. P. 3516-3519.
15. Abubakar M.S., Shaw J.H. Carbon dioxide band intensities and linewidths in the 8-12-µm region // Appl. Opt. 1986. V. 25, N 7. P. 1196-1203.
16. Gangemi F.A. Effect of Isotopic substitution on the Dipole Moment of Molecules of Symmetrical Configuration // J. Chem. Phys. 1963. V. 39, N 12. P. 3490-3496.
17. Mandin J.-Y., Dana V., Badaoui M., Guelachvili G., Morillon-Chapey M., Kou Q. Intensities and self-broadening coefficients of ¹³C¹⁶O₂ lines in the laser band region // J. Mol. Spectrosc. 1992. V. 155, N 3. P. 393-402.
18. Rothman L.S., Gordon I.E., Barbe A., Chris Benner D., Bernath P.F., Birk M., Boudon V., Brown L.R., Campargue A., Champion J.-P. The HITRAN 2008 molecular spectroscopic database // J. Quant. Spectrosc. and Radiat. Transfer. 2009. V. 110, N 9-10. P. 533-572.
19. Rosenmann L., Hawkins R.L., Wattson R.B., Gamache R.R. Energy levels, intensities, and linewidths of atmospheric carbon dioxide bands // J. Quant. Spectrosc. and Radiat. Transfer. 1992. V. 48, N 5/6. P. 537-566.
20. Bykov A., Lavrentieva N., Sinitsa L. Semi-empiric approach to the calculation of H₂O and CO₂ line broadening and shifting // Mol. Phys. 2004. V. 102, is. 14-15. P. 1653-1658.
21. Lavrentieva N., Osipova A., Sinitsa L., Claveau Ch., Valentin A. Shifting temperature dependence of nitrogen-broadened lines in the ν₂ band of H₂O // Mol. Phys. 2008. V. 106, is. 9-10. P. 1261-1266.
22. Buldyreva J., Lavrentieva N. Nitrogen and oxygen broadening of ozone infrared lines in the region of 5 μm: theoretical predictions by semiempirical and semiclassical methods // Mol. Phys. 2009. V. 107, is. 15. P. 1527-1536.
23. Лаврентьева Н.Н., Мишина Т.П., Синица Л.Н., Теннисон Дж. Расчеты самоуширения и самосдвига спектральных линий водяного пара с использованием точных колебательно-вращательных волновых функций // Оптика атмосф. и океана. 2008. Т. 21, № 12. P. 1096-1100.
24. Petrova T.M., Solodov A.M., Solodov A.A., Dudaryonok A.S., Lavrentieva N.N. Measurements of O₂-broadening and -shifting parameters of the water vapor spectral lines in the second hexad region // J. Quant. Spectrosc. and Radiat. Transfer. 2011. V. 112, is. 18. P. 2741-2749.
25. Дударенок А.С., Лаврентьева Н.Н., Аршинов К.И., Невдах В.В. Столкновительное уширение линий СО₂ давлением N₂О // Оптика атмосф. и океана. 2011. Т. 24, № 10. С. 858-863.
26. URL: http://wadis.saga.iao.ru/
27. URL: http://ara.lmd.polytechnique.fr
28. Buldyreva J., Nguyen L. Extension of the exact trajectory model to the case of asymmetric tops and its application to infrared nitrogen-broadened linewidths of ethylene // Phys. Rev. A. 2008. V. 77, N 4. 042720. (10 p).
29. Nguyen L., Buldyreva J., Colmont J.M., Rohart F. Wlodarczak G., Alekseev E.A. Detailed profile analysis of millimetre 502 and 602 GHz N₂O-N₂(O₂) lines at room temperature for collisional linewidth determination // Mol. Phys. 2006. V. 104, is. 16-17. P. 2701-2710.
30. Yang C., Buldyreva J., Gordon I., Rohart F., Cuisset A., Mouret G., Bocquet R., Hindle F. Oxygen, nitrogen and air broadening of HCN spectral lines at terahertz frequencies // J. Quant. Spectrosc. and Radiat. Transfer. 2008. V. 109, N 17-18. P. 2857-2868.
31. Buldyreva J., Guinet M., Eliet S., Hindle F., Mouret G., Bocquet R., Cuisset A. Theoretical and experimental studies of CH₃X-Y₂ rotational line shapes for atmospheric spectra modelling: application to room-temperature of CH₃Cl-O₂ // Phys. Chem. Chem. Phys. 2011. V. 13, is. 6. P. 20326-20334.
32. Tsao C.J., Curnutte B. Line-width of pressure-broadened spectral lines // J. Quant. Spectrosc. and Radiat. Transfer. 1961. V. 2, N 1. P. 41-91.
33. Yasuda H., Yamamoto T. On the two-centre expansion of an arbitrary function // Prog. Theor. Phys. 1971. V. 45. P. 1458-1465.
34. Rosenmann L., Hartmann J.M., Perrin M.Y., Taine J. Collisional broadening of CO₂ IR lines. II. Calculations // J. Chem. Phys. 1988. V. 88, N 5. P. 2999-3006.
35. Murthy C.S., Singer K., Mc Donald J.R. Interaction site models for carbon dioxide // Mol. Phys. 1981. V. 44, is. 1. P. 135-143.
36. Rothman L.S., Young L.D.G. Infrared energy levels and intensities of carbon dioxide-II // J. Quant. Spectrosc. and Radiat. Transfer. 1981. V. 25, N 6. P. 505-524.