Modification of tetraphenylporphyrin ring in manganese(III) complexes - Theoretical description of the influence on their physicochemical properties

Polish Journal of Chemistry

Volumn 82, Issue 9, 2008, Pages 1853-1863

  Szaleniec, M ^a   Tokarz Sobieraj, R ^a   Witko, M ^a  

^a INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

Author keywords

Correlation analysis; DFT calculations; Metalloporphyrins

Indexed keywords

EID: 52049121650     PISSN: 01375083     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (23)

1. Poltowicz J. and Haber J., J. Mol. Catal. A: Chem., 220, 43 (2004).
2. Poltowicz J., Pamin K. and Haber J., J. Mol. Catal. A: Chem., 257, 154 (2006).
3. Giraudeau A., CallotH.J., Jordan J., Ezharl. and Gross M., J.Am. Chem. Soc., 101(14), 3857 (1979).
4. Kadish K.M., Morrison M.M., Constant L.A., Dickens L. and Davis D.G., J. Am. Chem. Soc., 98(26), 8387 (1976).
5. Kadish K.M. and Morrison M.M., Inorg. Chem., 15(4), 980 (1976).
6. Walker F.A., Beroiq D. and Kadish K.M., J. Am. Chem. Soc., 98, 3484 (1976).
7. Guo C.-Ch., Song J.-X., Chen X.-B. and Jiang G.-R, J. Mol. Cat. A: Chem., 157, 31 (2000).
8. Hansen C. and Leo A., Exploring QSAR. Fundamentals and Application in Chemistry and Biology, ACS Processional Reference Book, American Chemical Society, Washington DC, (1995).
9. Yixia Ch., Yuanbin S., Jing X. and Yan L., Frontiers of Chemical Engineering in China, 1, 155 (2007).
10. Lu Q., Yu R. and Shen G., J. Mol Catal A: Chem., 198, 9 (2003).
11. Cheng B. and Scheidt W.R., Acta Cryst. C, 52, 361 (1996).
12. 2 Modeling Environment, Release4.8, San Diego: Accelrys Software Inc., (2005).
13. Gasteiger J. and Marsili M., Tetrahedron, 36, 3219 (1980).
14. Rappe A.K., Casewit C.J., Colwell K.S., Goddard WA. and Skiff W.M., J. Am. Chem. Soc., 114, 10024 (1992).
15. Frisch M.J., Tracks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery J.A., Vreven Jr. T., Kudin K.N., Burant J.C, Millam J.M., Iyengar S.S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G.A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y, Kitao O., Nakai H., Klene M., Li X., Knox J.E., Hratchian H.P., Cross J.B., Bakken V., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala RY, Morokuma K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.C., Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G., Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W, Johnson B., Chen W., Wong M.W., Gonzalez C and Pople J.A., Gaussian, Inc., Wallingford CT, (2004).
16. Becke A.D., J. Chem. Phys., 98, 5648 (1993).
17. Tatewaki H. and Huzinaga S., J. Comput. Chem., 1, 205 (1980).
18. Li J., Cramer C.J. and Truhlar D.G., Theor. Chem. Acc, 99, 192 (1998).
19. Lynch B.J. and Truhlar D.G., Theor. Chem. Ace, 111, 335 (2004).
20. Mulliken R.S., J. Chem. Phys., 23, 1833 (1955).
21. Behere D.V., Inorg. Chem., 19, 992 (1980).
22. Krzystek J., Inorg. Chem., 38, 6121 (1999).
23. Gonzalez B., Kouba J., Yee S., Reed C.A., Kirner J.F. and Scheidt W.R., J. Am. Chem. Soc., 97, 3247 (1975).