Determination of the equilibrium structure of the charge-transfer state of (p-cyanophenyl)pentamethyldisilane by means of transient infrared spectroscopy

Journal of Physical Chemistry A

Volumn 109, Issue 40, 2005, Pages 8959-8961

  Ishikawa, Haruki ^a,b   Sugiyama, Masuyuki ^a   Baba, Ippei ^a   Setaka, Wataru ^a   Kira, Mitsuo ^a   Mikami, Naohiko ^a  

^a TOHOKU UNIVERSITY   (Japan)

^b KOBE UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; COMPUTER SIMULATION; INFRARED SPECTROSCOPY; QUANTUM THEORY; SILANES; STRETCHING; THERMAL EFFECTS; TRANSIENTS;

EQUILIBIRUM STRUCTURE; PHENYL RINGS; STRUCTURAL CHANGES; VIBRATION REGION;

CHARGE TRANSFER;

EID: 27144449970     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp054117r     Document Type: Article

References (24)

1. (a) Lippert, E. Z. Naturforsch. 1955, 10a, 541.
2. (b) Lippert, E.; Lüder, W.; Boos, H. In Advances in Molecular Spectroscopy; Mangini, A., Ed.; Pergamon: New York, 1962; p 443.
3. For a recent review, see: Grabowski, Z. R.; Rotkiewicz, K.; Rettig, W. Chem. Rev. 2003, 103, 3899.
4. Rotkiewicz, K.; Grellmann, K. H.; Grabowski, Z. R Chem. Phys. Lett. 1973, 19, 315.
5. Zachariasse, K. A.; Grobys, M.; von der Haar, Th.; Hebecker, A.; Il'ichev, Yu. V.; Morawski, O.; Rückert, I.; Kühnle, W. J. Photochem. Photobiol. A: Chem. 1997, 105, 373.
6. Sobolewski, A. L.; Domcke, W. Chem. Phys. Lett. 1996, 250, 428.
7. Grabowski, Z. R.; Rotkiewicz, K.; Rettig, W. Chem. Rev. 2003, 103, 3899 (section IV.B and references therein).
8. Dobkowski, J.; Wójcik, J.; Koźmiński, W.; Kołlos, R.; Waluk, J.; Michl, J. J. Am. Chem. Soc. 2002, 124, 2406.
9. Tajima, Y.; Ishikawa, H.; Miyazawa, T.; Kira, M.; Mikami, N. J. Am. Chem. Soc. 1997, 119, 7400.
10. Ishikawa, H.; Shimanuki, Y.; Sugiyama, M.; Tajima, Y.; Kira, M.; Mikami, N. J. Am. Chem. Soc. 2002, 124, 6220.
11. Ishikawa, H.; Sugiyama, M.; Shimanuki, Y.; Tajima, Y.; Setaka, W.; Kira, M.; Mikami, N. J. Phys. Chem. A 2003, 107, 10781.
12. (a) Sakurai, H.; Sugiyama, H.; Kira, M. J. Phys. Chem. 1990, 94, 1837.
13. (b) Kira, M.; Miyazawa, T.; Sugiyama, H.; Yamaguchi, M.; Sakurai, H. J. Am. Chem. Soc. 1993, 115, 3116.
14. (c) Kira, M.; Miyazawa, T. In The chemistry of organic silicon compounds; Rappoport, Z., Apeloig, Y., Eds.; John Wiley & Sons: New York, 1998; Vol. 2, Chapter 22
15. (a) Shizuka, H.; Obuchi, H.; Ishikawa, M.; Kumada, M. J. Chem. Soc., Chem. Commun. 1981, 405.
16. (b) Shizuka, H.; Sato, Y.; Ishikawa, M.; Kumada, M. J. Chem. Soc., Chem. Commun. 1982, 439.
17. (c) Shizuka, H.; Sato, Y.; Ueki, Y.; Ishikawa, M.; Kumada, M. J. Chem. Soc., Faraday Trans. 1 1984, 80, 341.
18. (d) Shizuka, H.; Obuchi, H.; Ishikawa, M.; Kumada, M. J. Chem. Soc., Faraday Trans. 1 1984, 80, 383.
19. (e) Shizuka, H.; Okazaki, K.; Tanaka, M.; Ishikawa, M.; Sumitani, M.; Yoshihara, K. Chem. Phys. Lett. 1985 113, 89.
20. (f) Hiratsuka, H.; Mori, Y.; Ishikawa, M.; Okazaki, K.; Shizuka, H. J. Chem. Soc., Faraday Trans. 2 1985, 81, 1665.
21. (g) Yamamoto, M.; Kudo, T.; Ishikawa, M.; Tobita, S.; Shizuka, H. J. Phys. Chem. A 1999, 103, 3144.
22. Because the disilanyl group lies in the perpendicular plane to the phenyl ring in the So and LE states, a planar configuration, where the disilanyl group lies in the same plane as the phenyl ring, is the twisted form in the case of phenyldisilanes.
23. Ebata, T.; Mizuochi, N.; Watanabe, T.; Mikami, N. J. Phys. Chem. 1996, 100, 546.
24. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V. Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A. Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J. Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J. Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R. Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A. Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D. Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G. Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A. Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford CT, 2004.