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Volumn 108, Issue 25, 2004, Pages 5386-5392

Photochemistry of butyrophenone: Combined complete-active-space self-consistent field and density functional theory study of norrish type I and II reactions

(3) He, Hong Yuan a Fang, Wei Hai a Phillips, David Lee b

a BEIJING NORMAL UNIVERSITY (China)

b UNIVERSITY OF HONG KONG (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOLS; AROMATIC COMPOUNDS; CHARGE TRANSFER; COMPUTATIONAL METHODS; DECOMPOSITION; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; HYDROGEN; ISOMERS; KETONES; OPTIMIZATION; POTENTIAL ENERGY; REACTION KINETICS; RELAXATION PROCESSES; SURFACE REACTIONS;

AROMATIC CARBONYL COMPOUNDS; COMPLETE-ACTIVE-SPACE SELF-CONSISTENT FIELD (CASSCF); DENSITY FUNCTIONAL THEORY (DFT); ENERGETICS;

PHOTOCHEMICAL REACTIONS;

EID: 3142745324 PISSN: 10895639 EISSN: None Source Type: Journal
DOI: 10.1021/jp037735l Document Type: Article

Times cited : (36)

References (62)

1
- 23044526322
- Diau, E. W.-G.; Rotting, C.; Zewail, A. H. ChemPhysChem 2001, 2, 273-293.
- (2001) Chem Phys Chem , vol.2 , pp. 273-293
- Diau, E.W.-G.¹ Rotting, C.² Zewail, A.H.³

2
- 23044527715
- Diau, E. W.-G.; Kotting, C.; Zewail, A. H. ChemPhysChem 2001, 2, 294-309.
- (2001) Chem Phys Chem , vol.2 , pp. 294-309
- Diau, E.W.-G.¹ Kotting, C.² Zewail, A.H.³

3
- 0037127191
- and references therein
- Diau, E. W.-G.; Kotting, C.; Soiling, T. I.; Zewail, A. H. ChemPhysChem 2001, 3, 57-78, and references therein.
- (2001) Chem Phys Chem , vol.3 , pp. 57-78
- Diau, E.W.-G.¹ Kotting, C.² Soiling, T.I.³ Zewail, A.H.⁴

4
- 0011807113
- and references therein
- Diau, E. W.-G.; Kotting, C.; Soiling, T. I.; Zewail, A. H. ChemPhysChem 2001, 3, 79-97 and references therein.
- (2001) Chem Phys Chem , vol.3 , pp. 79-97
- Diau, E.W.-G.¹ Kotting, C.² Soiling, T.I.³ Zewail, A.H.⁴

5
- 33947292229
- and references therein
- Wagner, P. J. Acc. Chem. Res. 1971, 4, 168-177 and references therein.
- (1971) Acc. Chem. Res. , vol.4 , pp. 168-177
- Wagner, P.J.¹

6
- 33845552949
- and references therein
- Scaiano, J. C. Acc. Chem. Res. 1982, 15, 252-258 and references therein.
- (1982) Acc. Chem. Res. , vol.15 , pp. 252-258
- Scaiano, J.C.¹

7
- 33845184238
- and references therein
- Wagner, P. J. Acc. Chem. Res. 1989, 22, 83-90 and references therein.
- (1989) Acc. Chem. Res. , vol.22 , pp. 83-90
- Wagner, P.J.¹

8
- 0004105590
- Ellis Harwood Limited Chichester U.K
- Horspool, W.; Armesto, D. Organic Photochemistry: A Comprehensive Treatment; Ellis Harwood Limited: Chichester, U.K., 1992; p 195.
- (1992) Organic Photochemistry Comprehensive Treatment , pp. 195
- Horspool, W.¹ Armesto, D.²

9
- 0004084020
- Crc Press Boca Raton F.L.
- Gilbert, A.; Baggott, J. Essentials of Molecular Photochemistry; CRC Press: Boca Raton, FL, 1991; p 310.
- (1991) Essentials of Molecular Photochemistry , pp. 310
- Gilbert, A.¹ Baggott, J.²

10
- 0002394792
- Horspool W.M. Song P.-S. Eds. Crc Press Boca Raton FL
- Wagner, P. J. In CRC Handbook of Organic Photochemistry and Photobiology; Horspool, W. M., Song, P.-S., Eds.; CRC Press: Boca Raton, FL, 1995; p 449.
- (1995) Crc Handbook of Organic Photochemistry Photobiology , pp. 449
- Wagner, P.J.¹

11
- 0034598544
- Feyter, S. D.; Diau, E. W.-G.; Zewail, A. H. Angew. Chem., Int. Ed. 2000, 39, 260-263.
- (2000) Angew. Chem. Int. Ed. , vol.39 , pp. 260-263
- Feyter, S.D.¹ Diau, E.W.-G.² Zewail, A.H.³

12
- 33750622810
- Reddy, G. D.; Jayasree, B.; Ramamurthy, V. J. Org. Chem. 1987, 52, 3107-3113.
- (1987) J. Org. Chem , vol.52 , pp. 3107-3113
- Reddy, G.D.¹ Jayasree, B.² Ramamurthy, V.³

13
- 25944448795
- Liu, D.; Fang, W.-H.; Fu, X. Y. Chem. Phys. Lett. 2000, 325, 8692.
- (2000) Chem. Phys. Lett. , vol.325 , pp. 8692
- Liu, D.¹ Fang, W.-H.² Fu, X.Y.³

14
- 0037160366
- Griesbeck, A. G.; Heckroth, H. J. Am. Chem. Soc. 2002, 124, 396-403.
- (2002) J. Am. Chem. Soc , vol.124 , pp. 396-403
- Griesbeck, A.G.¹ Heckroth, H.²

15
- 3142696605
- Setokuchi, O.; Simizu, Y. J. Mol. Struct. (THEOCHEM) 1997, 401, 29-33.
- (1997) J. Mol. Struct. (THEOCHEM) , vol.401 , pp. 29-33
- Setokuchi, O.¹ Simizu, Y.²

16
- 0032548625
- Setokuchi, O.; Matuzawa, S.; Simizu, Y. Chem. Phys. Lett. 1998, 284, 19-23.
- (1998) Chem. Phys. Lett. , vol.284 , pp. 19-23
- Setokuchi, O.¹ Matuzawa, S.² Simizu, Y.³

17
- 0033515368
- Sakurai, H.; Kalo, S. J. Mol. Struct. (THEOCHEM) 1999, 461, 145-152.
- (1999) J. Mol. Struct. (THEOCHEM) , vol.461 , pp. 145-152
- Sakurai, H.¹ Kalo, S.²

18
- 0035912436
- and references therein
- Molina, V.; Merchan, M. J. Phys. Chem A. 2001, 105, 3745-3751 and references therein.
- (2001) J. Phys. Chem A. , vol.105 , pp. 3745-3751
- Molina, V.¹ Merchan, M.²

19
- 0000649857
- and references therein
- Silva, C. R.; Reilly, J. P. J. Phys. Chem. 1996, 100, 17111-17123 and references therein.
- (1996) J. Phys. Chem. , vol.100 , pp. 17111-17123
- Silva, C.R.¹ Reilly, J.P.²

20
- 0000865273
- Berger, M.; Goldblatt, I. L.; Steel, C. J. Am. Chem. Soc. 1973, 95, 1717-1725.
- (1973) J. Am. Chem. Soc. , vol.95 , pp. 1717-1725
- Berger, M.¹ Goldblatt, I.L.² Steel, C.³

21
- 0043129930
- Berger, M.; Steel, C. J. Am. Chem. Soc. 1975, 97, 4817-4821.
- (1975) J. Am. Chem. Soc , vol.97 , pp. 4817-4821
- Berger, M.¹ Steel, C.²

22
- 0031560157
- Zhao, H.-O.; Cheung, Y.-S.; Liao, C.-L; Liao, C.-X.; Ng, C. Y. J. Chem. Phys. 1997, 107, 7230-7241.
- (1997) J. Chem. Phys. , vol.107 , pp. 7230-7241
- Zhao, H.-O.¹ Cheung, Y.-S.² Liao, C.-L.³ Liao, C.-X.⁴ Ng, C.Y.⁵

23
- 0000839371
- Warren, J. A.; Bernstein, E. R. J. Chem. Phys. 1986, 85, 2365-2367.
- (1986) J. Chem. Phys. , vol.85 , pp. 2365-2367
- Warren, J.A.¹ Bernstein, E.R.²

24
- 0001375508
- Kapturkiewicz, A.; Nowacki, J. J. Phys. Chem. A 1999, 103, 8145-8155.
- (1999) J. Phys. Chem. A. , vol.103 , pp. 8145-8155
- Kapturkiewicz, A.¹ Nowacki, J.²

25
- 0040199677
- Matsushita, Y.; Yamaguchi, Y.; Hikida, T. Chem. Phys. 1996, 213, 413-419.
- (1996) Chem. Phys. , vol.213 , pp. 413-419
- Matsushita, Y.¹ Yamaguchi, Y.² Hikida, T.³

26
- 0031801891
- Srivastava, S.; Yourd, E.; Toscano, J. P. J. Am. Chem. Soc. 1998, 120, 6173-6174.
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 6173-6174
- Srivastava, S.¹ Yourd, E.² Toscano, J.P.³

27
- 0003080705
- Baronavski, A. P.; Owrutsky, J. C. Chem. Phys. Lett. 2001, 333, 36-40.
- (2001) Chem. Phys. Lett. , vol.333 , pp. 36-40
- Baronavski, A.P.¹ Owrutsky, J.C.²

28
- 0025325153
- and references therein
- Osterheld, T. H.; Brauman, J. I. J. Am. Chem. Soc. 1990, 112, 2014-2016 and references therein.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 2014-2016
- Osterheld, T.H.¹ Brauman, J.I.²

29
- 0001732887
- Lewis, F. D.; Hilliard, T. A. J. Am. Chem. Soc. 1972, 94, 3852-3858.
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 3852-3858
- Lewis, F.D.¹ Hilliard, T.A.²

30
- 0000305325
- and references therein
- Zepp, R. G.; Gumz, M. M.; Miller, W. L. J. Phys. Chem. A 1998, 102, 5716-5723 and references therein.
- (1998) J. Phys. Chem. A. , vol.102 , pp. 5716-5723
- Zepp, R.G.¹ Gumz, M.M.² Miller, W.L.³

31
- 2642644999
- Wagner, P. J.; McGrath, J. M. J. Am. Chem. Soc. 1972, 94, 3849-3851.
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 3849-3851
- Wagner, P.J.¹ McGrath, J.M.²

32
- 0000443697
- King, R. A.; Allen, W. D.; Schaefer, H. F., III J. Chem. Phys. 2000, 112, 5585-5592.
- (2000) J. Chem. Phys , vol.112 , pp. 5585-5592
- King, R.A.¹ Allen, W.D.² Schaefer III, H.F.³

33
- 0033568352
- Fang, W.-H. J. Am. Chem. Soc. 1999, 121, 8376-8384.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 8376-8384
- Fang, W.-H.¹

34
- 0034623529
- Fang, W.-H. J. Am. Chem. Soc. 2000, 122, 10886-10894.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 10886-10894
- Fang, W.-H.¹

35
- 0043127127
- Chen, X.-B.; Fang, W.-H. J. Am. Chem. Soc. 2003, 125, 9689-9698.
- (2003) J. Am. Chem. Soc. , vol.125 , pp. 9689-9698
- Chen, X.-B.¹ Fang, W.-H.²

36
- 0032542684
- Yamamoto, N.; Olivucci, M.; Celani, P.; Bernardi, F.; Robb, M. A. J. Am. Chem. Soc. 1998, 120, 2391-2407.
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 2391-2407
- Yamamoto, N.¹ Olivucci, M.² Celani, P.³ Bernardi, F.⁴ Robb, M.A.⁵

37
- 0039334846
- Wilsey, S.; Gonzalez, L.; Robb, M. A.; Houk, K. N. J. Am. Chem. Soc. 2000, 122, 5866-5876.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 5866-5876
- Wilsey, S.¹ Gonzalez, L.² Robb, M.A.³ Houk, K.N.⁴

38
- 0037131436
- communication
- Fang, W.-H.; Phillips, D. L. ChemPhysChem. 2002, 3, 889-892 (communication).
- (2002) Chem Phys Chem , vol.3 , pp. 889-892
- Fang, W.-H.¹ Phillips, D.L.²

39
- 3142778840
- Fang, W.-H.; Phillips, D. L. J. Theor. Comput. Chem. 2003, 2, 23-31.
- (2003) J. Theor. Comput. Chem. , vol.2 , pp. 23-31
- Fang, W.-H.¹ Phillips, D.L.²

40
- 0035857554
- Wessig, P.; Muhling, O. Angew. Chem., Int. Ed. 2001, 40, 1064-1065.
- (2001) Angew. Chem. Int. Ed. , vol.40 , pp. 1064-1065
- Wessig, P.¹ Muhling, O.²

41
- 0000541370
- Schmidt, M. W.; Gordon, M. S. Annu. Rev. Phys. Chem. 1998, 49, 233-266.
- (1998) Annu. Rev. Phys. Chem. , vol.49 , pp. 233-266
- Schmidt, M.W.¹ Gordon, M.S.²

42
- 0000089287
- (a) Frisch, M. J.; Ragazos, I. N.; Robb, M. A.; Schlegel, H. B. Chem. Phys. Lett. 1992, 189, 524-528.
- (1992) Chem. Phys. Lett. , vol.189 , pp. 524-528
- Frisch, M.J.¹ Ragazos, I.N.² Robb, M.A.³ Schlegel, H.B.⁴

43
- 0030099772
- (b) Yamamoto, N.; Vreven, T.; Robb, M. A.; Frisch, M. J.; Schlegel, H. B. Chem. Phys. Lett. 1996, 250, 373-378.
- (1996) Chem. Phys. Lett. , vol.250 , pp. 373-378
- Yamamoto, N.¹ Vreven, T.² Robb, M.A.³ Frisch, M.J.⁴ Schlegel, H.B.⁵

44
- 0001888398
- Wiberg, K. B.; Stratmann, R. E.; Frisch, M. J. Chem. Phys. Lett. 1998, 297, 60-70.
- (1998) Chem. Phys. Lett. , vol.297 , pp. 60-70
- Wiberg, K.B.¹ Stratmann, R.E.² Frisch, M.J.³

45
- 0035935318
- and references therein
- Chen, W.-C.; Yu, C.-C. J. Chem. Phys. 2001, 115, 7495-7502 and references therein.
- (2001) J. Chem. Phys. , vol.115 , pp. 7495-7502
- Chen, W.-C.¹ Yu, C.-C.²

46
- 0011083273
- Scott, A. D.; Radom, L. J. Phys. Chem. 1996, 100, 16502-16513.
- (1996) J. Phys. Chem. , vol.100 , pp. 16502-16513
- Scott, A.D.¹ Radom, L.²

47
- 0004133516
- Revision A.7; Gaussian, Inc.: Pittsburgh, PA
- 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. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, S.; Pople, J. A. Gaussian 98, Revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
- (1998) Gaussian 98
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Scuseria, G.E.⁴ Robb, M.A.⁵ Cheeseman, J.R.⁶ Zakrzewski, V.G.⁷ Montgomery Jr., J.A.⁸ Stratmann, R.E.⁹ Burant, J.C.¹⁰ Dapprich, S.¹¹ Millam, J.M.¹² Daniels, A.D.¹³ Kudin, K.N.¹⁴ Strain, M.C.¹⁵ Farkas, O.¹⁶ Tomasi, J.¹⁷ Barone, V.¹⁸ Cossi, M.¹⁹ Cammi, R.²⁰ more..

48
- 0001271118
- Ohmori, N.; Suzuki, T.; Ito, M. J. Phys. Chem. 1988, 92, 1086-1093.
- (1988) J. Phys. Chem. , vol.92 , pp. 1086-1093
- Ohmori, N.¹ Suzuki, T.² Ito, M.³

49
- 0002460836
- Ridley, J. E.; Zerner, M. C. J. Mol. Spectrosc. 1979, 76, 71-85.
- (1979) J. Mol. Spectrosc. , vol.76 , pp. 71-85
- Ridley, J.E.¹ Zerner, M.C.²

50
- 0000839371
- Warren, J. A.; Bernstern, E. R. J. Chem. Phys. 1986, 85, 2365-2367.
- (1986) J. Chem. Phys. , vol.85 , pp. 2365-2367
- Warren, J.A.¹ Bernstern, E.R.²

51
- 0004344770
- University Science Books
- Turro, N. J. Modern Molecular Photochemistry; University Science Books: 1991.
- (1991) Modern Molecular Photochemistry
- Turro, N.J.¹

52
- 0030352943
- Bernardi, F.; Olivucci, M.; Robb, M. A. Chem. Soc. Rev. 1996, 25, 321-328.
- (1996) Chem. Soc. Rev. , vol.25 , pp. 321-328
- Bernardi, F.¹ Olivucci, M.² Robb, M.A.³

53
- 0011454957
- Anderson, R. W.; Hochstrasser, R. M.; Lutz, H.; Scott, G. W. J. Chem. Phys. 1974, 61, 2500-2506.
- (1974) J. Chem. Phys. , vol.61 , pp. 2500-2506
- Anderson, R.W.¹ Hochstrasser, R.M.² Lutz, H.³ Scott, G.W.⁴

54
- 0000528646
- Morris, J. M.; Williams, D. F. Chem. Phys. Lett. 1974, 25, 312-314.
- (1974) Chem. Phys. Lett. , vol.25 , pp. 312-314
- Morris, J.M.¹ Williams, D.F.²

55
- 0001977839
- Matsumoto, T.; Sato, M.; Hiroyama, S. Chem. Phys. Lett. 1972, 13, 13-15.
- (1972) Chem. Phys. Lett. , vol.13 , pp. 13-15
- Matsumoto, T.¹ Sato, M.² Hiroyama, S.³

56
- 0042070833
- El-Sayed, M. A. J. Chem. Phys. 1964, 41, 2462-2467.
- (1964) J. Chem. Phys. , vol.41 , pp. 2462-2467
- El-Sayed, M.A.¹

57
- 0008550481
- El-Sayed, M. A.; Leyerle, R. J. Chem. Phys. 1975, 62, 1579-1580.
- (1975) J. Chem. Phys. , vol.62 , pp. 1579-1580
- El-Sayed, M.A.¹ Leyerle, R.²

58
- 3142706920
- Halpern, A.; Ware, W. R. J. Chem. Phys. 1970, 53, 1969-1977.
- (1970) J. Chem. Phys. , vol.53 , pp. 1969-1977
- Halpern, A.¹ Ware, W.R.²

59
- 0000539182
- Hansen, D. A.; Lee, K. C. J. Chem. Phys. 1975, 62, 183-189.
- (1975) J. Chem. Phys. , vol.62 , pp. 183-189
- Hansen, D.A.¹ Lee, K.C.²

60
- 0012127434
- Caldwell, R. A.; Fink, P. M. Tetrahedron Lett. 1969, 35, 2987-2989.
- (1969) Tetrahedron Lett. , vol.35 , pp. 2987-2989
- Caldwell, R.A.¹ Fink, P.M.²

61
- 3142692217
- Caldwell, R. A.; Fink, P. M. Tetrahedron Lett. 1969, 47, 4151-5153.
- (1969) Tetrahedron Lett. , vol.47 , pp. 4151-5153
- Caldwell, R.A.¹ Fink, P.M.²

62
- 0033572562
- and references therein
- Harvey, J. N.; Aschi, M. Phys. Chem. Chem. Phys. 1999, 1, 5555-5563 and references therein.
- (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 5555-5563
- Harvey, J.N.¹ Aschi, M.²

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