HeI photoelectron and ab initio study of acetyl cyanide and its cation

Journal of Electron Spectroscopy and Related Phenomena

Volumn 113, Issue 1, 2000, Pages 49-55

  Katsumata, Shunji ^a   Tabayashi, Kiyohiko ^b   Sugihara, Takashi ^b   Kimura, Katsumi ^c,d  

^a IWAKI MEISEI UNIVERSITY   (Japan)

^b HIROSHIMA UNIVERSITY   (Japan)

^c INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^d Molecular Photonics and Photoelectron Group   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

GROUND STATE; IONIZATION OF GASES; MOLECULAR VIBRATIONS; PHOTOELECTRON SPECTROSCOPY; POSITIVE IONS;

ACETYL CYANIDE; PYRUVONITRILE;

CYANIDES;

EID: 0034539763     PISSN: 03682048     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0368-2048(00)00195-X     Document Type: Article

References (18)

1. J.C. Owrutsky, A.P. Baronavski, J. Chem. Phys. 111 (1999) 7329.
2. R.J. Horwitz, J.S. Francisco, J.A. Guest, J. Phys. Chem. A101 (1997) 1231.
3. S.W. North, A.J. Marr, A. Furlan, G.E. Hall, J. Phys. Chem. A101 (1997) 9224.
4. K. Okada, K. Saito, J. Phys. Chem. 99 (1995) 13168.
5. R. Sumathi, M.T. Nguyen, J. Phys. Chem. 102 (1998) 412.
6. R.E. Rosenberg, J. Org. Chem. 63 (1998) 5562.
7. C-C. Wu, M-H. Lien, J. Phys. Chem. 100 (1996) 594.
8. K. Kimura, S. Katsumata, Y. Achiba, Y. Yamazaki, S. Iwata, Handbook of HeI Photoelectron Spectra of Fundamental Organic Molecules, Japan Scientific Societies Press, Tokyo, 1981.
9. U. Nagashima, S. Nagaoka, S. Katsumata, J. Phys. Chem. 95 (1991) 3532.
10. S. Nagaoka, K. Mukai, T. Itoh, S. Katsumata, J. Phys. Chem. 96 (1992) 8184.
11. CS Chem3D is the trademark of Cambridge Soft Corporation, Cambridge Scientific Computing, Inc.
12. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scusena, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M. W Gill, B. Johnson, W Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 98, Revision A.6, Gaussian, Pittsburgh PA, 1998.
13. T. Pasinszki, N.P.C. Westwood, J. Phys. Chem. 100 (1996) 16856.
14. T. Pasinszki, H. Yamakado, K. Ohno, J. Phys. Chem. 97 (1993) 12718.
15. L.A. Curtiss, K. Raghavachari, P.C. Redfern, V. Rassolov, J.A. Pople, J. Chem. Phys. 109 (1998) 7764.
16. M. Sugie, K. Kuchitsu, J. Mol. Struct. 20 (1974) 437.
17. J.B. Foreman, A. Frisch, Exploring Chemistry with Electronic Structure Methods, 2nd Edition, Gaussian, Pittsburgh, PA, 1996.
18. S. Bell, G.A. Guirgis, J. Lin, J.R. Dung, J. Mol. Struct. 238 (1990) 183.