The vacuum UV photoabsorption spectrum of methyl bromide (CH3Br) and its perdeuterated isotopomer CD3Br: A vibrational analysis

Chemical Physics

Volumn 317, Issue 1, 2005, Pages 87-102

  Locht, R ^a   Leyh, B ^a   Dehareng, D ^a   Jochims, H W ^b   Baumgartel H ^b  

^a UNIVERSITY OF LIÈGE   (Belgium)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Ab initio calculations; CD3Br; CH3Br; Jahn Teller effect; Photoabsorption; Photoelectron spectrum; Rydberg series; Vacuum UV; Vibrational analysis

Indexed keywords

EID: 25444451289     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2005.06.008     Document Type: Article

References (25)

1. R. Locht, B. Leyh, A. Hoxha, D. Dehareng, H.W. Jochims, and H. Baumgärtel Chem. Phys. 257 2000 283
2. R. Locht, B. Leyh, A. Hoxha, H.W. Jochims, and H. Baumgärtel Chem. Phys. 272 2001 259
3. R. Locht, B. Leyh, A. Hoxha, D. Dehareng, H.W. Jochims, and H. Baumgärtel Chem. Phys. 272 2001 277
4. R. Locht, B. Leyh, H.W. Jochims, H. Baumgärtel, Chem. Phys., this issue, doi: 10.1016/j.chemphys.2005.06.002.
5. G.C. Causley, and B.R. Russell J. Chem. Phys. 62 1975 848
6. S. Felps, P. Hochmann, P. Brint, and S.P. McGlynn J. Mol. Spectrosc. 59 1976 355
7. A. Hoxha, R. Locht, B. Leyh, K. Hottmann, H.W. Jochims, and H. Baumgärtel Chem. Phys. 260 2000 237
8. C.L. Lugez, D. Forney, M.E. Jacox, and K.K. Ikura J. Chem. Phys. 106 1997 489
9. L. Karlsson, R. Jadrny, L. Mattsson, F.T. Chau, and K. Siegbahn Phys. Scripta 16 1977 225
10. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Peterson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvdor, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Karkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.V. Ortiz, J.B. Foresman, Q. Cui, A.G. Baboul, S. Clifford, J. Ciolowski, B.B. Stefanow, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople Gaussian-03 (Revision B04) 2003 Gaussian, Inc. Pittsburgh, PA
11. C. Møller, and M.S. Plesset Phys. Rev. 46 1934 618
12. M. Head-Gordon, J.A. Pople, and M.J. Frisch Chem. Phys. Lett. 153 1988 503
13. J.A. Pople, M. Head-Gordon, and K. Raghavachari J. Chem. Phys. 87 1987 5968
14. G.E. Scuseria, and H.F. Schaefer III J. Chem. Phys. 90 1989 3700
15. R.G. Parr, and W. Yang Density Functional Theory of Atoms and Molecules 1989 Oxford University Press New York
16. A.D. Becke J. Chem. Phys. 98 1993 5648
17. R. Krishnan, J.S. Blinkley, R. Seeger, and J.A. Pople J. Chem. Phys. 72 1980 650
18. M.J. Frisch, J.A. Pople, and J.S. Binkley J. Chem. Phys. 80 1984 3265
19. D.E. Woon, and T.H. Dunning Jr. J. Chem. Phys. 98 1993 1358
20. A.P. Scott, and L. Radom J. Phys. Chem. 100 1996 16502
21. G. Herzberg Molecular Spectra and Molecular Structure. III. Electronic Spectra and Electronic Structure of Polyatomic Molecules 1967 D. Van Nostrand Princeton, NJ
22. G. Herzberg Molecular Spectra and Molecular Structure. II. Infrared and Raman Spectra of Polymotic Molecules 1945 D. Van Nostrand New York
23. R. Locht, E. Gridelet, to be published.
24. E.R. Cohen, and B.N. Taylor J. Phys. Chem. Ref. Data 37 1973 663
25. P. Venkateswarlu Can. J. Phys. 47 1969 2525