Theoretical study on novel quantum yields of dithienylethenes cyclization reactions in crystals

Journal of Molecular Structure: THEOCHEM

Volumn 625, Issue 1-3, 2003, Pages 227-234

  Asano, Yukako ^a   Murakami, Akinori ^b   Kobayashib, Takao ^b   Kobatake, Seiya ^c   Irie, Masahiro ^c   Yabushita, Satoshi ^a   Nakamura, Shinichiro ^b  

^a KEIO UNIVERSITY   (Japan)

^b MITSUBISHI CHEMICAL CORPORATION   (Japan)

^c KYUSHU UNIVERSITY   (Japan)

Author keywords

Cyclization reaction; Dithienylethene; Environmental effect; Photochromic reaction; Quantum yield

Indexed keywords

1,2 BIS(2 METHYL 1 BENZOTHIOPHEN 3 YL)PERFLUOROCYCLOPENTENE; 1,2 BIS(2 METHYL 5 PHENYL 3 THIENYL)PERFLUOROCYCLOPENTENE; CYCLOPENTENE DERIVATIVE; ETHYLENE DERIVATIVE; HEXANE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL REACTION; CHEMICAL STRUCTURE; CRYSTAL; CRYSTAL STRUCTURE; CYCLIZATION; ENERGY; GEOMETRY; QUANTUM CHEMISTRY; QUANTUM YIELD;

EID: 0037696600     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00025-3     Document Type: Article

References (17)

1. H. Dürr, H. Bouas-Laurent, Photochromism: Molecules and Systems, Elsevier, Amsterdam, 1990.
2. M. Irie, Chem. Rev. 100 (2000) 1685.
3. S.L. Gilat, S.H. Kawai, J.-M. Lehn, Chem. Eur. J. 1 (1995) 275.
4. M. Irie, K. Sakemura, M. Okinaka, K. Uchida, J. Org. Chem. 60 (1995) 8305.
5. K. Uchida, E. Tsuchida, Y. Aoi, S. Nakamura, M. Irie, Chem. Lett. (1999) 63.
6. M. Irie, T. Eriguchi, T. Takada, K. Uchida, Tetrahedron 53 (1997) 12263.
7. A.T. Bens, D. Frewert, K. Kodatis, C. Kryschi, H.-D. Martin, H.P. Trommsdorff, Eur. J. Org. Chem. (1998) 2333.
8. M. Irie, K. Uchida, Bull. Chem. Soc. Jpn. 71 (1998) 985.
9. S. Nakamura, M. Irie, J. Org. Chem. 53 (1988) 6136.
10. D. Guillaumont, T. Kobayashi, K. Kanda, H. Miyasaka, K. Uchida, S. Kobatake, K. Shibata, S. Nakamura, M. Irie, J. Phys. Chem. A 106 (2002) 7222.
11. K. Uchida, D. Guillaumont, E. Tsuchida, G. Mochizuki, M. Irie, A. Murakami, S. Nakamura, J. Mol. Struct. (Theochem) 579 (2002) 115.
12. S. Nakamura, K. Kanda, D. Guillaumont, K. Uchida, M. Irie, Nonliner Optics 26 (2000) 201.
13. T. Yamada, K. Muto, S. Kobatake, M. Irie, J. Org. Chem. 66 (2001) 6164.
14. S. Kobatake, M. Yamada, T. Yamada, M. Irie, J. Am. Chem. Soc. 121 (1999) 8450.
15. M. Irie, T. Lifka, S. Kobatake, N. Kato, J. Am. Chem. Soc. 122 (2000) 4871.
16. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, 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, A.G. Baboul, 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, 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.9, Gaussian Inc., Pittsburgh, PA, 1998.
17. M. Mikami, S. Nakamura, submitted for publication.