Electronic structure and spectral-luminescent properties of 1,2,4,6-tetrasubstituted pyridinium salts

Autor:	E. G. Protsenko, A. F. Korunova, I. P. Krainov
Rok vydání:	1985
Předmět:	Electron transfer Crystallography chemistry.chemical_compound Absorption spectroscopy Pyridinium Compounds chemistry Absorption band Computational chemistry Molecule General Chemistry Electronic structure Pyridinium Spectral line
Zdroj:	Theoretical and Experimental Chemistry. 21:215-219
ISSN:	1573-935X 0040-5760
DOI:	10.1007/bf00945201
Popis:	The structure of the electronic excitation of 1,2,4,6-tetrasubstituted pyridinium salts was studied by quantum-chemical calculations carried out by the SCF PPP CI method, using excitation-localization numbers on the atoms and fragments, and in-terfragmentary charge transfer numbers. The nature of the absorption bands observed in the spectra and certain structural factors causing the spectral-luminescent properties were established.
Databáze:	OpenAIRE
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