Spectral-luminescence properties and structure of oxazolepyridinium salts
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Absorption and luminescence spectra of oxazolepyridinium salts were investigated; these salts represent a little studied class of lasing luminophors. The Pariser-Parr-Pople configurational interaction self-consistent field method using excitation localization indices at atoms and fragments and interfragment charge transfer numbers was used to make a quantum chemical calculation of the electronic structure of the ground and excited states of these compounds. The fragment of the molecule that is responsible for fluorescence was determined.
KeywordsExcited State Charge Transfer Quantum Chemical Quantum Chemical Calculation Luminescence Spectrum
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