NMR spectra of some reduced symmetry peripheral fused-ring-substituted phthalocyanines: Density functional calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 67, Issue 3-4, 2007, Pages 1135-1138

  Zhang, Xianxi ^a,b   Liu, Zhongqiang ^a,c   Kobayashi, Nagao ^d   Jiang, Jianzhuang ^a  

^a SHANDONG UNIVERSITY   (China)

^b LIAOCHENG UNIVERSITY   (China)

^c QILU UNIVERSITY OF TECHNOLOGY   (China)

^d TOHOKU UNIVERSITY   (Japan)

Author keywords

DFT method; Fused ring substituted phthalocyanine; NMR spectra

Indexed keywords

FUSED-RING-SUBSTITUTED PHTHALOCYANINE; NMR SHIELDING TENSORS;

CHEMICAL SHIFT; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SUBSTITUTION REACTIONS;

AMINES;

FURAN DERIVATIVE; INDOLE DERIVATIVE; PHTHALOCYANINE; PROTON; SOLVENT; TETRAHYDROFURAN; TETRAMETHYLSILANE; TRIMETHYLSILYL DERIVATIVE; UNCLASSIFIED DRUG; ZINC DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

FURANS; INDOLES; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR STRUCTURE; PROTONS; SOLVENTS; TRIMETHYLSILYL COMPOUNDS; ZINC COMPOUNDS;

EID: 34249716690     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.10.001     Document Type: Article

References (10)

1. In: Dolphin D. (Ed). The Porphyrins vols. 1-7 (1978/1979), Academic Press, New York
2. Leznoff C.C., and Lever A.B.P. Phthalocyanines: Properties and Application vols. 1-4 (1989), VCH Publishers Inc., New York 1991, 1993, 1996
3. Becker E.D., and Bradley R.B. J. Chem. Phys. 31 (1959) 1413
4. Kozlowski P.M., Wolinski K., Pulay P., Ye B.H., and Li X.Y. J. Phys. Chem. A 103 (1999) 420
5. Gomila R.M., Quiñonero D., Garau C., Frontera A., Ballester P., Costa A., and Deyà P.M. Chem. Phys. Lett. 360 (2002) 72
6. Frydman L., Olivieri A.C., Diaz L.E., Frydman B., Kustanovich I., and Vega S. J. Am. Chem. Soc. 111 (1989) 7001
7. Zhang X.X., Kobayashi N., and Jiang J.Z. Spectrochim. Acta Part A 64 2 (2006) 526
8. Kobayashi N., Mack J., Ishii K., and Stillman M.J. Inorg. Chem. 41 (2002) 5350
9. Wolinski K., Hilton J.F., and Pulay P. J. Am. Chem. Soc. 112 (1990) 8251
10. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Montgomery Jr. J.A., 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., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Andres J.L., Gonzalez C., Head-Gordon M., Replogle E.S., and Pople J.A. Gaussian-98, Revision A.9 (1998), Gaussian, Inc., Pittsburgh PA