Theoretical and experimental determination of the physicochemical properties of 2-(4-pyridyl)-5-phenyloxazole (4PyPO) View Full Text


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Article Info

DATE

1987-08

AUTHORS

A. I. Galeeva, R. T. Kuznetsova, E. G. Sinenko, R. M. Fofonova, L. Sh. Afanasiadi, I. N. Tur

ABSTRACT

Studies have been made on 4PyPO, which represents a new class of water-soluble dye for quantum electronics. Quantum-chemical calculations indicate the most likely site of proton attachment to 4PyPO and explain the changes in the absorption and fluorescent spectra in acid media. The protonated form of 4PyPO fluoresces in neutral aqueous solution because of the substantial increase in probability of proton attachment in the S1 state. Simulating the solvation in the calculation of the H-bonded complex improves the agreement between the theoretical and experimental results. More... »

PAGES

685-688

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf00895944

DOI

http://dx.doi.org/10.1007/bf00895944

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1041125720


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