Studies on the structural change of the N - protonated tetrapyridylporphine II. The effects of the substituting group meso - (p - methylpyridyl)

Acta Chimica Sinica

Volumn 59, Issue 2, 2001, Pages 195-200

  Ma, Si Yu ^a   Wang, Juan ^a  

^a BEIJING NORMAL UNIVERSITY   (China)

Author keywords

AM1 MO method; Configurational change; meso tetrakis (p methylpyridyl) porphyrin; Molecular aggregation; N protonated diacid

Indexed keywords

EID: 0041909588     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (12)

1. Borman, S. Chem. Enging. News, 1998, 5, 42.
2. Ohno, O.; Kaizu, Y.; Kobayashi, H. J. Chem. Phys., 1993, 99, 4128.
3. Akins, D. L.; Zhu, H. - R.; Guo, C. J. Phys. Chem., 1994, 98, 3612.
4. Ma, S. - Y.; LI, Z. - H. Acta Chim. Sinica, 2000, 58, 588 (in Chinese).
5. Stone, A.; Fleischer, E. B. J. Am. Chem. Soc., 1968, 90, 2735.
6. Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. J. Am. Chem. Soc., 1985, 107, 3092.
7. Mason, S. F. J. Chem. Soc., 1958, 976.
8. Closs, G. L.; Katz, J. J.; Pennington, F. C. J. Am. Chem. Soc., 1963, 85, 3809.
9. Schlegel, H. B. J. Comput. Chem., 1982, 3, 214.
10. Gaussian 94, Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al - Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Goslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. T.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head - Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian, Inc., Pittsburgh, PA, 1995.
11. Gouterman, M. J. Mol. Spectrosc., 1961, 6, 138.
12. Kitaigorodshii, A. I. "Organic Chemical Crystallography", Consaltants Bureau, New York, 1961, pp. 7, 45.