Electronic structure and spectral-luminescent properties of 1,2,4,6-tetrasubstituted pyridinium salts
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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.
KeywordsAbsorption Band Pyridinium Charge Transfer Structural Factor Electronic Excitation
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