Response calculations of electronic and vibrational transitions in molecular oxygen induced by interaction with noble gases

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 59, Issue 14, 2003, Pages 3387-3410

  Minaev, Boris F ^a,b   Kobzev, G I ^c  

^a CHERKASY STATE TECHNOLOGICAL UNIVERSITY   (Ukraine)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^c Orenbourg University   (Russian Federation)

Author keywords

Collision complexes; MCSCF response calculations; O2+Ar; O2+He; O2+Ne; Spin orbit coupling

Indexed keywords

COMPUTER SIMULATION; INFRARED RADIATION; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; MOLECULAR VIBRATIONS; OXYGEN; X RAYS;

SPIN-ORBIT COLLISION;

COMPLEXATION;

INERT GAS; OXYGEN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROPHOTOMETRY;

MODELS, MOLECULAR; NOBLE GASES; OXYGEN; SPECTROPHOTOMETRY, INFRARED;

EID: 0242271888     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(03)00165-3     Document Type: Article

References (81)

1. Rajchenok T.F., Byteva I.M., Salohiddinov K.I., Bolotko L.M. Opt. Spectrosc. 49:1980;208.
2. Fink E.H., Setzer K.D., Wildt J., Ramsay D.A., Vervloct M. Int. J. Quantum Chem. 39:1991;287.
3. Wildt J., Fink E.H., Biggs P., Wayne R.P., Vilesov A.F. Chem. Phys. 159:1992;127.
4. Thibault F., Menoux V., Doucen R.L. Appl. Opt. 36:1997;563.
5. Herzberg L., Herzberg G. Astrophys. J. 105:1947;353.
6. Minaev B.F. Opt. Spectrosc. (USSR). 45:1978;936.
7. Minaev B.F. Izv. Vyssh. Uchebn. Zaved. Fiz. 9:1978;115.
8. McGlynn S.P., Azumi T., Kinoshita M. Molecular Spectroscopy of the Triplet State. 1969;Prentice Hall, Engelwood Cliffs, NJ.
9. Z.M. Muldahmetov, B.F. Minaev, G.A. Ketsle. Optical and magnetic properties of the triplet state, Nauka. Alma-Ata (in Russian), 1983.
10. Becker A.C., Schurath U., Dubost I.I., Galaup J.P. Chem. Phys. 125:1988;321.
11. Böhling R., Becker A., Serawski K., Minaev B.F., Schurath U. Chem. Phys. 142:1990;445.
12. Tyczkowski G., Schurath U., Bodenbinder M., Willner H. Chem. Phys. 215:1997;379.
13. Krasnovsky A.A. Jr. Chem. Phys. Lett. 81:1981;443.
14. Ogilby P.R., Foote C.S. J. Am. Chem. Soc. 105:1983;3423.
15. Darmanyan A.P. Khim. Fiz. 6:1987;1192.
16. Losev A.P., Byteva I.M., Gurinovich G.P. Chem. Phys. Lett. 143:1988;127.
17. Scurlock R.D., Nonell S., Braslavsky S.E., Ogilby P.R. J. Phys. Chem. 99:1995;3521.
18. Ogilby P.R. Acc. Chem. Res. 32:1999;512.
19. Schmidt R., Afshari E. J. Phys. Chem. 94:1990;4377.
20. Schmidt R., Bodesheim M. J. Phys. Chem. 98:1994;2874.
21. Schmidt R., Bodesheim M. J. Phys. Chem. 99:1995;15919.
22. Schmidt R., Shafii F., Hild M. J. Phys. Chem. A. 103:1999;2599.
23. Frederiksen P.K., Jorgensen M., Ogilby P.R. J. Am. Chem. Soc. 123:2001;1215.
24. Jefford C.W. Chem. Soc. Rev. 22:1993;59.
25. Gal. Biochem D. Biophys. Res. Commun. 202:1994;10.
26. Batlle A.M.D. J. Photochem. Photobiol. B20:1993;5.
27. Prabhakar R., Siegbahn P.E.M., Minaev B., Ågren H. J. Phys. Chem. B. 106:2002;3742.
28. Pass H.I. J. Natl. Cancer Inst. 85:1993;443.
29. Darmanyan A.P. J. Phys. Chem. A. 102:1998;9833.
30. Rund K., Schimmelpfennig B., Ågren H. Chem. Phys. Lett. 310:1999;215.
31. Weldon D., Wang B., Poulsen T.D., Ogilby P.R., Mikkelsen K.V. J. Phys. Chem. A. 102:1998;1498.
32. Wessels J.M., Rodgers M.A.J. J. Phys. Chem. 99:1995;17586.
33. Minaev B.F., Mikkelsen K.V., Ågren H. Chem. Phys. 220:1997;79.
34. Minaev B.F., Ågren H. J. Chem. Soc. Faraday Trans. 93:1997;2231.
35. Minaev B.F., Vahtras O., Ågren H. Chem. Phys. 208:1996;299.
36. Minaev B.F., Nikolaev V.D., Ågren H. Spectrosc. Lett. 29:1996;677.
37. Minaev B.F. Zh. Fiz. Khim. 68:1994;1432.
38. B.F. Minaev, Theoretical analysis and prognostication of spin-orbit coupling effects in molecular spectroscopy and chemical kinetics, Dr. Sc. Thesis, N.N. Semenov Institute of Chemical Physics, Moscow, (in Russian), 1983.
39. Minaev B.F. Opt. Spectrosc. (USSR). 58:1985;1238.
40. Minaev B.F. J. Appl. Spectrosc. (USSR). 42:1985;518.
41. Minaev B.F., Mambeterzina G.K. Oxygen complexes with naphthalene and decapenthacne studied by mindo ci method. Ketsle G.A. Photoproceses in Atomic, and Molecular Systems. 1984;35 Karaganda State University. in Russian.
42. Minaev B.F., Lunell S., Kobzev G.I. J. Mol. Struct. (TEOCHEM). 284:1993;1.
43. Ågren H., Vahtras O., Minaev B.F. Adv. Quantum Chem. 27:1996;71.
44. Jensen H.J.A., Jørgensen P., Helgaker T., Olsen J. Chem. Phys. Lett. 154:1989;380.
45. Hettema H., Jensen H.J.A., Jørgensen P., Olsen J. J. Chem. Phys. 97:1992;1174.
46. Binkley J.S., Hebre W.J., Pople J.A. J. Am. Chem. Soc. 101:1980;939.
47. Woon D.E., Dunning T.H. J. Chem. Phys. 98:1993;1358.
48. Hebre W.J., Ditchfield R., Pople J.A. J. Chem. Phys. 56:1972;2257.
49. Koseki S., Schmidt M.H., Gordon M.S. J. Phys. Chem. 96:1992;10678.
50. Schmidt M.W., Baldridge K.K., Boats J.A., Elbert S.T., Gordon M.S., Jensen J.H., Koseki S., Matsunaga N., Nguyen K.A., Su S.J., Windus T.L. J. Comput. Chem. 14:1993;1347.
51. T. Helgaker, H.J.A. Jensen, P. Jørgensen, J. Olsen, K. Ruud, H. Ågren, T. Andersen, K.L. Bak, V. Bakken, O. Christiansen, P. Dahle, E.K. Dalskov, T. Enevoldsen, B. Fernandes, H. Koch, H. Heiberg, H. Hettema, D. Jonsson, S. Kirpekar, R. Kobayashi, K.V. Mikkelsen, P. Norman, M.J. Packer, T. Saue, P.R. Taylor, O. Vahtras, Dalton release 1.0, an Electronic Structure Program, 1997.
52. Minaev B.F. J. Mol. Struct. THEOCHEM. 183:1989;207.
53. Minaev B.F. Izv. Vyssh. Uchebn. Zaved. Fiz. 5:1978;160.
54. Klotz H., Marian C.M., Peyerimhoff S.D., Hess B.A., Buenker R.J. Chem. Phys. 89:1984;223.
55. Vahtras O., Minaev B.F., Ågren H. Chem. Phys. Lett. 281:1997;186.
56. Luo Y., Jonsson D., Norman P., Ruud K., Ågren H., Minaev B., Rizzo A., Mikkelsen K.V. Int. J. Quantum Chem. 70:1998;219.
57. Sveshnikova E.B., Minaev B.F. Opt. Spectrosc. 54:1983;320.
58. Minaev B.F., Lunell S., Kobzev G.I. Int. J. Quantum Chem. 50:1994;279.
59. Minaev B.F., Kukueva V.V., Ågren H. J. Chem. Soc. Faraday Trans. 90:1994;1479.
60. Badger R.M., Wright A.C., Whitlock R.F. J. Chem. Phys. 43:1965;4345.
61. Noxon J.F. Can. J. Phys. 39:1961;1110.
62. Ritter K.J., Wilkerson T.D. J. Mol. Spectrosc. 121:1987;1.
63. Brown L.R., Plymate C. J. Mol. Spectrosc. 199:2000;166.
64. Galkin V.D. Opt. Spectrosc. (in Russian). 47:1979;266.
65. Minaev B.F. Int. J. Quantum Chem. 17:1980;367.
66. Klotz R., Peyerimhoff S.D. Mol. Phys. 57:1986;573.
67. Krupenie P.H. J. Phys. Chem. Ref. Data. 1:1972;423.
68. Long C., Kearns D.R. J. Chem. Phys. 59:1973;5729.
69. Krasnovsky A.A. Jr, Yegorov S.Y., Nazarova O.V., Yartsev Y.I., Ponomarev G.V. Biofizika. 32:1987;982.
70. Gorman S.E., Hamblett I., Lambert C., Prescott A.L., Rodgers M.A.J. J. Am. Chem. Soc. 109:1987;3091.
71. Scurlock R.D., Ogilby P.R. J. Phys. Chem. 91:1987;4599.
72. Schroder D., Schwarz H. Angew. Chem. Int. Engl. Ed. 34:1973;1995.
73. Hild M., Schmidt R. J. Phys. Chem. A. 103:1999;6091.
74. Minaev B.F., Kobzev G.I. Opt. Spectrosc. 83:1997;58.
75. Partridge H., Bauschlicher C.W., Langhoff S.R., Taylor P.R. J. Chem. Phys. 95:1991;8292.
76. Minaev B.F., Knuts S., Ågren H. Chem. Phys. 181:1994;15.
77. Minaev B.F. Phys. Chem. Chem. Phys. 1:1999;3403.
78. Poulsen T.D., Ogilby P.R., Mikkelsen K.V. J. Phys. Chem. A. 102:1998;8970.
79. Minaev B.F. Chem. Phys. 252:2000;25.
80. Bates D.R. Chem. Phys. Lett. 162:1989;313.
81. Minaev B.F., Ivanova N.M., Kobzev G.I., Muldahmetov Z.M. J. Appl. Spectrosc. 29:2002;25.