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Volumn 315, Issue 1-2, 2005, Pages 201-213

DFT study on the influence of meso-phenyl substitution on the geometric, electronic structure and vibrational spectra of free base porphyrin

(5) Zhang, Ying Hui a Ruan, Wen Juan a Li, Zhi Yun a Wu, Yang a Zheng, Jian Yu a

a NANKAI UNIVERSITY (China)

Author keywords

Absorption spectra; DFT; meso Phenylporphyrins; Vibrational spectra

Indexed keywords

EID: 23044499458 PISSN: 03010104 EISSN: None Source Type: Journal
DOI: 10.1016/j.chemphys.2005.04.004 Document Type: Article

Times cited : (74)

References (39)

1
- 0001342120
- D. Dolphin Academic Press NewYok
- D.J. Davis D. Dolphin The Porphyrins 5 1978 Academic Press NewYok 127
- (1978) The Porphyrins , vol.5 , pp. 127
- Davis, D.J.¹

2
- 0024433591
- J. Deisenhofer, and H. Michel Science 245 1989 1463
- (1989) Science , vol.245 , pp. 1463
- Deisenhofer, J.¹ Michel, H.²

3
- 0040976560
- B.R. Crane, L.M. Siegel, and E.D. Getzoff Science 270 9 1995 60
- (1995) Science , vol.270 , Issue.9 , pp. 60
- Crane, B.R.¹ Siegel, L.M.² Getzoff, E.D.³

4
- 0001514543
- J.A. Shelnutt, C.J. Medforth, M.D. Berber, K.M. Barkigia, and K.M. Smith J. Am. Chem. Soc. 113 1991 4077
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 4077
- Shelnutt, J.A.¹ Medforth, C.J.² Berber, M.D.³ Barkigia, K.M.⁴ Smith, K.M.⁵

5
- 0028409290
- J.D. Hobbs, S.A. Majumder, L. Luo, G.A. Sickelsmith, J.M.E. Quirke, C.J. Medforth, K.M. Smith, and J.A. Shelnutt J. Am. Chem. Soc. 116 1994 3261
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 3261
- Hobbs, J.D.¹ Majumder, S.A.² Luo, L.³ Sickelsmith, G.A.⁴ Quirke, J.M.E.⁵ Medforth, C.J.⁶ Smith, K.M.⁷ Shelnutt, J.A.⁸

6
- 0037419841
- R.E. Haddad, S. Gazeau, J. Pecaut, J.-C. Marchon, C.J. Medforth, and J.A. Shelnutt J. Am. Chem. Soc. 125 5 2003 1253
- (2003) J. Am. Chem. Soc. , vol.125 , Issue.5 , pp. 1253
- Haddad, R.E.¹ Gazeau, S.² Pecaut, J.³ Marchon, J.-C.⁴ Medforth, C.J.⁵ Shelnutt, J.A.⁶

7
- 0029394753
- W. Jentzen, M.C. Simpson, J.D. Hobbs, X. Song, T. Ema, N.Y. Nelson, C.J. Medforth, K.M. Smith, M. Veyrat, M. Mazzanti, R. Ramasseul, J.-C. Marchon, T. Takeuchi, W.A. Goddard, and J.A. Shelnutt J. Am. Chem. Soc. 117 1995 11085
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 11085
- Jentzen, W.¹ Simpson, M.C.² Hobbs, J.D.³ Song, X.⁴ Ema, T.⁵ Nelson, N.Y.⁶ Medforth, C.J.⁷ Smith, K.M.⁸ Veyrat, M.⁹ Mazzanti, M.¹⁰ Ramasseul, R.¹¹ Marchon, J.-C.¹² Takeuchi, T.¹³ Goddard, W.A.¹⁴ Shelnutt, J.A.¹⁵

8
- 0001546353
- X.-Z. Song, W. Jentzen, L. Jaquinod, R.G. Khoury, C.J. Medforth, S.-L. Jia, J.-G. Ma, K.M. Smith, and J.A. Shelnutt Inorg. Chem. 37 1998 2117
- (1998) Inorg. Chem. , vol.37 , pp. 2117
- Song, X.-Z.¹ Jentzen, W.² Jaquinod, L.³ Khoury, R.G.⁴ Medforth, C.J.⁵ Jia, S.-L.⁶ Ma, J.-G.⁷ Smith, K.M.⁸ Shelnutt, J.A.⁹

9
- 0030479176
- X.-Z. Song, W. Jentzen, S.-L. Jia, L. Jaquinod, D.J. Nurco, C.J. Medforth, K.M. Smith, and J.A. Shelnutt J. Am. Chem. Soc. 118 1996 12975
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 12975
- Song, X.-Z.¹ Jentzen, W.² Jia, S.-L.³ Jaquinod, L.⁴ Nurco, D.J.⁵ Medforth, C.J.⁶ Smith, K.M.⁷ Shelnutt, J.A.⁸

10
- 1442288231
- H.-H. Tsai, and M.C. Simpson J. Phys. Chem. A 108 2004 1224
- (2004) J. Phys. Chem. a , vol.108 , pp. 1224
- Tsai, H.-H.¹ Simpson, M.C.²

11
- 0034789102
- A.K. Wertsching, A.S. Koch, and S.G. DiMagno J. Am. Chem. Soc. 123 2001 3932
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 3932
- Wertsching, A.K.¹ Koch, A.S.² Dimagno, S.G.³

12
- 0000645657
- K.A. Nguyen, P.N. Day, and R. Pachter J. Phys. Chem. A 103 1999 9378
- (1999) J. Phys. Chem. a , vol.103 , pp. 9378
- Nguyen, K.A.¹ Day, P.N.² Pachter, R.³

13
- 0037206772
- K.A. Nguyen, P.N. Day, R. Pachter, S. Tretiak, V. Chernyak, and A. Mukamel J. Phys. Chem. A 106 2002 10285
- (2002) J. Phys. Chem. a , vol.106 , pp. 10285
- Nguyen, K.A.¹ Day, P.N.² Pachter, R.³ Tretiak, S.⁴ Chernyak, V.⁵ Mukamel, A.⁶

14
- 8344284962
- O. Cramariuc, T.I. Hukka, and T.T. Rantala J. Phys. Chem. A 108 2004 9435
- (2004) J. Phys. Chem. a , vol.108 , pp. 9435
- Cramariuc, O.¹ Hukka, T.I.² Rantala, T.T.³

15
- 0001260007
- M.O. Senge, and W.W. Kalisch Inorg. Chem. 36 1997 6103
- (1997) Inorg. Chem. , vol.36 , pp. 6103
- Senge, M.O.¹ Kalisch, W.W.²

16
- 0347603487
- A. Rosa, G. Ricciardi, E.J. Baerends, A. Romeo, and L.M. Scolaro J. Phys. Chem. B 107 2003 11468
- (2003) J. Phys. Chem. B , vol.107 , pp. 11468
- Rosa, A.¹ Ricciardi, G.² Baerends, E.J.³ Romeo, A.⁴ Scolaro, L.M.⁵

17
- 0342674893
- T.S. Rush III, P.M. Kozlowski, C.A. Piffat, R. Kumble, M.Z. Zgierski, and T.G. Spiro J. Phys. Chem. B 104 2000 5020
- (2000) J. Phys. Chem. B , vol.104 , pp. 5020
- Rush III, T.S.¹ Kozlowski, P.M.² Piffat, C.A.³ Kumble, R.⁴ Zgierski, M.Z.⁵ Spiro, T.G.⁶

18
- 3442877826
- H. Guo, J. Jiang, Y. Shi, Y. Wang, J. Liu, and S. Dong J. Phys. Chem. B 108 2004 10185
- (2004) J. Phys. Chem. B , vol.108 , pp. 10185
- Guo, H.¹ Jiang, J.² Shi, Y.³ Wang, Y.⁴ Liu, J.⁵ Dong, S.⁶

19
- 33845183059
- X.-Y. Li, R.S. Czernuszewicz, J.R. Kincaid, and T.G. Spiro J. Am. Chem. Soc. 111 1989 7012
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 7012
- Li, X.-Y.¹ Czernuszewicz, R.S.² Kincaid, J.R.³ Spiro, T.G.⁴

20
- 0011079003
- X.-Y. Li, R.S. Czernuszewicz, J.R. Kincaid, Y.O. Su, and T.G. Spiro J. Phys. Chem. 94 1990 31
- (1990) J. Phys. Chem. , vol.94 , pp. 31
- Li, X.-Y.¹ Czernuszewicz, R.S.² Kincaid, J.R.³ Su, Y.O.⁴ Spiro, T.G.⁵

21
- 0035837998
- D.-M. Chen, T.J. He, D.-F. Cong, Y.-H. Zhang, and F.-C. Liu J. Phys. Chem. A 105 2001 3981
- (2001) J. Phys. Chem. a , vol.105 , pp. 3981
- Chen, D.-M.¹ He, T.J.² Cong, D.-F.³ Zhang, Y.-H.⁴ Liu, F.-C.⁵

22
- 0014213107
- S.J. Silvers, and A. Tulindky J. Am. Chem. Soc. 89 1967 3331
- (1967) J. Am. Chem. Soc. , vol.89 , pp. 3331
- Silvers, S.J.¹ Tulindky, A.²

23
- 0001467338
- A. Ghosh, and J. Almlof J. Phys. Chem. 99 1995 1073
- (1995) J. Phys. Chem. , vol.99 , pp. 1073
- Ghosh, A.¹ Almlof, J.²

24
- 0001323744
- J. Wojaczynski, L. Latos-Grazynski, P.J. Chmielewski, P.V. Calcar, and A.L. Balch Inorg. Chem. 38 1999 3040
- (1999) Inorg. Chem. , vol.38 , pp. 3040
- Wojaczynski, J.¹ Latos-Grazynski, L.² Chmielewski, P.J.³ Calcar, P.V.⁴ Balch, A.L.⁵

25
- 15744375697
- Gaussian, Inc. Wallingford, CT
- M.J. Frisch Gaussian suite Gaussian 03, Revision C.01 2004 Gaussian, Inc. Wallingford, CT
- (2004) Gaussian Suite Gaussian 03, Revision C.01
- Frisch, M.J.¹

26
- 0000189651
- A.D. Becke J. Chem. Phys. 98 1993 5648
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

27
- 0345491105
- C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

28
- 0347568369
- R.E. Oakes, and S.E.J. Bell J. Phys. Chem. A 107 2003 10953
- (2003) J. Phys. Chem. a , vol.107 , pp. 10953
- Oakes, R.E.¹ Bell, S.E.J.²

29
- 33748545144
- P.C. Hariharan, and J.A. Pople Theor. Chim. Acta 28 1973 213
- (1973) Theor. Chim. Acta , vol.28 , pp. 213
- Hariharan, P.C.¹ Pople, J.A.²

30
- 0001508425
- V.A. Rassolov, J.A. Pople, M.A. Ratner, and T.L. Windus J. Chem. Phys. 109 1998 1223
- (1998) J. Chem. Phys. , vol.109 , pp. 1223
- Rassolov, V.A.¹ Pople, J.A.² Ratner, M.A.³ Windus, T.L.⁴

31
- 0037167114
- D.M. Chen, X. Liu, T.-J. He, and F.-C. Liu Chem. Phys. Lett. 361 2002 106
- (2002) Chem. Phys. Lett. , vol.361 , pp. 106
- Chen, D.M.¹ Liu, X.² He, T.-J.³ Liu, F.-C.⁴

32
- 0347690972
- R.E. Oakes, S.J. Spence, and S.E.J. Bell J. Phys. Chem. A 107 2003 2964
- (2003) J. Phys. Chem. a , vol.107 , pp. 2964
- Oakes, R.E.¹ Spence, S.J.² Bell, S.E.J.³

33
- 0042813364
- M. Gouterman J. Mol. Spectrosc. 6 1961 138
- (1961) J. Mol. Spectrosc. , vol.6 , pp. 138
- Gouterman, M.¹

34
- 0001092042
- X.-Y. Li, and M.Z. Zgierski J. Phys. Chem. 95 1991 4268
- (1991) J. Phys. Chem. , vol.95 , pp. 4268
- Li, X.-Y.¹ Zgierski, M.Z.²

35
- 0000051596
- S.E.J. Bell, A.H.R. Al-Obaidi, M.J.N. Hegarty, J.J. McGarvey, and R.E. Hester J. Phys. Chem. 99 1995 3959
- (1995) J. Phys. Chem. , vol.99 , pp. 3959
- Bell, S.E.J.¹ Al-Obaidi, A.H.R.² Hegarty, M.J.N.³ McGarvey, J.J.⁴ Hester, R.E.⁵

36
- 33748480454
- P.M. Kozlowski, A.A. Jarzecki, P. Pulay, X.-Y. Li, and M.Z. Zgierski J. Phys. Chem. 100 1996 13985
- (1996) J. Phys. Chem. , vol.100 , pp. 13985
- Kozlowski, P.M.¹ Jarzecki, A.A.² Pulay, P.³ Li, X.-Y.⁴ Zgierski, M.Z.⁵

37
- 0042922440
- M. Tazi, P. Lagant, and G. Vergoten J. Phys. Chem. A 104 2000 618
- (2000) J. Phys. Chem. a , vol.104 , pp. 618
- Tazi, M.¹ Lagant, P.² Vergoten, G.³

38
- 0001015586
- J.G. Radziszewski, M. Nepras, V. Balaji, J. Waluk, E. Vogel, and J. Michl J. Phys. Chem. 99 1995 14254
- (1995) J. Phys. Chem. , vol.99 , pp. 14254
- Radziszewski, J.G.¹ Nepras, M.² Balaji, V.³ Waluk, J.⁴ Vogel, E.⁵ Michl, J.⁶

39
- 25344465562
- A.A. Jarzecki, P.M. Kozlowski, P. Pulay, B.-H. Ye, and X.-Y. Li Spectrochim. Acta A 53 1997 1195
- (1997) Spectrochim. Acta a , vol.53 , pp. 1195
- Jarzecki, A.A.¹ Kozlowski, P.M.² Pulay, P.³ Ye, B.-H.⁴ Li, X.-Y.⁵

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