Quantum chemical studies on photoinduced Cis-Trans isomerization and intramolecular hydrogen atom transfer of 2′-hydroxychalcone

Journal of Physical Chemistry A

Volumn 107, Issue 41, 2003, Pages 8659-8664

  Norikane, Yasuo ^a   Nakayama, Naofumi ^b   Tamaoki, Nobuyuki ^a   Arai, Tatsuo ^c   Nagashima, Umpei ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b Best Systems Inc   (Japan)

^c UNIVERSITY OF TSUKUBA   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; HYDROGEN BONDS; ORGANIC COMPOUNDS; POTENTIAL ENERGY; PROTONS; QUANTUM THEORY; REACTION KINETICS;

HYDROGEN ATOM TRANSFER; HYDROXYCHALCONE; INTRAMOLECULAR HYDROGEN ATOM TRANSFER; STILBENE; STYRYLANTHRACENE; ZERO POINT CORRECTION;

ISOMERIZATION;

EID: 0242365464     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp027824i     Document Type: Article

References (34)

1. Arai, T.; Tokumaru, K. Chem. Rev. 1993, 93, 23-39.
2. (a) Lewis, F. D.; Yoon, B. A.; Arai, T.; Iwasaki, T.; Tokumaru, K. J. Am. Chem. Soc. 1995, 117, 3029-3036.
3. (b) Arai, T.; Iwasaki, T.; Tokumaru, K. Chem. Lett. 1993, 691-694.
4. Nagaoka, S.; Nagashima, U. Trends Phys. Chem. 1997, 6, 55-87.
5. Chou, P. T.; Martinez, M. L.; Cooper, W. C. J. Am. Chem. Soc. 1992, 114, 4943-4944.
6. Formosinho, S. J.; Arnaut, L. G. J. Photochem. Photobiol. A: Chem. 1993, 75, 21-48.
7. Catalán, J.; Palomar, J.; de Paz, J. L. G. J. Phys. Chem. A 1997, 101, 7914-7921.
8. Maheshwari, S.; Chowdhury, A.; Sathyamurthy, N.; Mishra, H.; Tripathi, H. B.; Panda, M.; Chandrasekhar, J. J. Phys. Chem. A 1999, 103, 6257-6262.
9. Nagaoka, S.; Itoh, A.; Mukai, K.; Nagashima, U. J. Phys. Chem. 1993, 97, 11385-11392.
10. Arai, T.; Norikane, Y. Chem. Lett. 1997, 339-340.
11. Norikane, Y.; Arai, T. Chem. Lett. 2001, 416-417.
12. Norikane, Y.; Itoh, H.; Arai, T. J. Phys. Chem. A 2002, 106, 2766-2776.
13. Norikane, Y.; Arai, T. Chem. Lett. 1999, 909-910.
14. Catalán, J.; Díaz, C. J. Phys. Chem. A 1998, 102, 323-328.
15. Al-Soufi, W.; Grellmann, K. H.; Nickel, B. J. Phys. Chem. 1991, 95, 10503-10509.
16. Tokumura, K.; Kurauchi, M.; Yagata, N.; Itoh, M. Chem. Phys. Lett. 1996, 258, 495-500.
17. Suzuki, T.; Kaneko, Y.; Arai, T. Chem. Lett. 2000, 756-757.
18. Luth, K.; Scheiner, S. J. Phys. Chem. 1995, 99, 7352-7359.
19. Luth, K.; Scheiner, S. Int. J. Quantum Chem. Symp. 1993, 27, 419-429.
20. Luth, K.; Scheiner, S. J. Phys. Chem. 1994, 98, 3582-3587.
21. Kar, T.; Scheiner, S.; Cuma, M. J. Chem. Phys. 1999, 111, 849-858.
22. Scheiner, S. J. Phys. Chem. A 2000, 104, 5898-5909.
23. Norikane, Y.; Itoh, H.; Arai, T. Chem. Lett. 2000, 1094-1095.
24. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. K.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
25. Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652.
26. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789.
27. Han, W.-Ge.; Lovell, T.; Liu, T.; Noodleman, L. ChemPhysChem 2002, 3, 167-178.
28. Lopez-Delgado, R.; Lazare, S. J. Phys. Chem. 1981, 85, 763-768.
29. Ford, D. P.; Thistlethwaite, J.; Woolfe, G. J. Chem. Phys. Lett. 1980, 69, 246-250.
30. Klöpffer, W.; Kaufmann, G. J. Lumin. 1979, 20, 283-289.
31. Nagaoka, S.; Nagashima, U. Chem. Phys. 1989, 136, 153-163.
32. Nagaoka, S.; Hirota, N.; Sumitani, M.; Yoshiwara, K.; Lipczynska-Kochany, E.; Iwamura, H. J. Am. Chem. Soc. 1984, 106, 6913-6916.
33. Law, K.-Y.; Shoham, J. J. Phys. Chem. 1994, 98, 3114-3120.
34. Herek, J. L.; Pedersen, S.; Bañares, L.; Zewail, A. H. J. Chem. Phys. 1992, 97, 9046-9061.