Internal rotation of methyl group in 2- and 1-methylanthracene studied by electronic spectroscopy and DFT calculations

Chemical Physics

Volumn 316, Issue 1-3, 2005, Pages 178-184

  Nakagaki, Masayuki ^a   Nishi, Eriko ^a   Sakota, Kenji ^a   Nishi, Kaori ^a   Nakano, Haruyuki ^a   Sekiya, Hiroshi ^a  

^a NONE

Author keywords

Density functional theory calculation; Electronic spectrum; Fluorescence; Hyperconjugation; Methyl rotation; Methylanthracene; Supersonic free jet

Indexed keywords

EID: 24344434027     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2005.06.006     Document Type: Article

References (25)

1. K. Okuyama, N. Mikami, and M. Ito J. Phys. Chem. 89 1985 5617
2. H. Mizuno, K. Okuyama, T. Ebata, and M. Ito J. Phys. Chem. 91 1987 5589
3. T. Aota, T. Ebata, and M. Ito J. Phys. Chem. 93 1989 3519
4. X.-Q. Tan, W.A. Majewski, D.F. Plusquellic, and D.W. Platt J. Chem. Phys. 94 1991 7721
5. Z.Q. Zhao, C.S. Parmenter, D.B. Moss, A.J. Braley, A.E.W. Knight, and K.G. Owens J. Chem. Phys. 96 1992 6362
6. K.-T. Lu, G.C. Eiden, and J.C. Weissharr J. Phys. Chem. 96 1992 9742
7. K. Takazawa, M. Fujii, and M. Ito J. Chem. Phys. 99 1993 3205
8. M. Fujii, M. Yamauchi, K. Takazawa, and M. Ito Spectrochim. Acta 50A 1994 1421
9. B. Ballesteros, and L. Santos Spectrochim. Acta Part A 58 2002 1069
10. K. Suzuki, S. Ishiuchi, and M. Fujii Faraday Discuss. 115 2000 229
11. K. Yoshida, K. Suzuki, S. Ishiuchi, M. Sakai, C.E.H. Dessent, and K. Muller-Dethlefs Phys. Chem. Chem. Phys. 4 2002 2534
12. S. Kinoshita, H. Kojima, T. Suzuki, T. Ichimura, K. Yoshida, M. Sakai, and M. Fujii Phys. Chem. Chem. Phys. 3 2001 4889
13. S. Ullrich, and K. Muller-Dethlefs J. Phys. Chem. A 106 2002 9181
14. Y. Sonoda, and S. Iwata Chem. Phys. Lett. 243 1995 176
15. K.-T. Lu, F. Weinhold, and J. Weisshaar J. Chem. Phys. 102 1995 6787
16. H. Nakai, and M. Kawai Chem. Phys. Lett. 307 1999 272
17. H. Nakai, and M. Kawai J. Chem. Phys. 113 2000 2168
18. H. Nakai, and Y. Kawamura Chem. Phys. Lett. 318 2000 298
19. M. Kawai, and H. Nakai Chem. Phys. 273 2001 191
20. Y. Kawamura, and H. Nakai Chem. Phys. Lett. 368 2003 673
21. H. Lin, J.A. Hunter, and J. Pfab Chem. Phys. Lett. 210 1993 38
22. H. Mori, H. Kugisaki, Y. Inokuchi, N. Nishi, E. Miyoshi, K. Sakota, K. Ohashi, and H. Sekiya J. Phys. Chem. A 106 2002 4886
23. N. Tanaka, C. Okabe, K. Sakota, T. Fukaminato, T. Kawai, M. Irie, A. Goldberg, S. Nakamura, and H. Sekiya J. Mol. Struct. 616 2002 113
24. C.C. Lin, and J.D. Swalen Rev. Mod. Phys. 31 1959 841
25. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., 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. Petersson, 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. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.S. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, 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 A.2 2003 Gaussian, Inc. Pittsburgh, PA