Spectral Properties of Phenylbenzopyrylium Salts in Solutions as a Result of Their Nucleophilic Solvation

Roshal, A.; Minayev, D. Y.; Pedash, Y. F.; Novikov, A. I.

Artykuł - szczegóły

Tytuł artykułu

Spectral Properties of Phenylbenzopyrylium Salts in Solutions as a Result of Their Nucleophilic Solvation

Autorzy

Roshal A. , Minayev D. Y. , Pedash Y. F. , Novikov A. I.

Identyfikatory

Warianty tytułu

Języki publikacji

Abstrakty

A dependence of spectral properties of 2-phenylbenzopyrylium (PBP) salts in solutions on the solvent nucleophilicity is presented.Asimple solvate complex model for quantum chemical estimation of the nucleophilic solvation influence on band positions in absorption and fluorescence PBP salt spectra is proposed. Quantum yield changes of the PBP salts in solvents of different nucleophilicity are explained as due to the influence of nucleophile solvation on the efficiency of the intersystem crossing in PBP cations. Two ways of this influence are proposed: the direct one, due to energy changes in S1 and Ti levels, and the indirect one, due to an increase or decrease of spin-orbital interaction efficiency, caused by changes of the structural rigidity of solvated PBP cations.

Słowa kluczowe

2-phenylbenzopyrylium salts flavylium salts nucleophilic solvation absorption spectra intersystem crossing

Wydawca

Polskie Towarzystwo Chemiczne

Czasopismo

Polish Journal of Chemistry

Rocznik

2002

Tom

Vol. 76 / nr 9

Strony

1301--1321

Opis fizyczny

Bibliogr. 39 poz., rys.

Twórcy

autor

Roshal A.

Physical Organic Chemistry Department, Institute of Chemistry, Kharkov National University, 4 Svoboda sqr., 61077, Kharkov, Ukraine

autor

Minayev D. Y.

Physical Chemistry Laboratory, South Parks Road, Oxford 0X1 3QZ, Great Britain

autor

Pedash Y. F.

Theoretical Chemistry Department, Institute of Chemistry, Kharkov National University, 4 Svoboda sqr., 61077, Kharkov, Ukraine

autor

Novikov A. I.

Department of Chemistry, Kharkov Military University, 6 Svoboda sqr. 61022, Kharkov, Ukraine

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Typ dokumentu

Bibliografia

Identyfikator YADDA

bwmeta1.element.baztech-article-BUJ1-0023-0044