Spectroscopic and proton-acceptor properties of biologically active molecules of benzoic acid and its derivatives

Tolstorozhev, G. B.; Belkov, M. V.; Райченок, Т. Ф.; Skornyakov, I. V.; Шадыро, О. И.; Бринкевич, С. Д.; Samovich, S. N.; Bazyl, O. K.; Artyukhov, V. Ya.; Mayer, G. V.

doi:10.1134/s0030400x13110258

Cited by 9 publications

(1 citation statement)

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“…It is well known that the О-Н bond in phenol and p-cresol molecules is broken upon exposure to radiation [30,31]. To assign experimental results on photo-induced degradation of molecules, quantum-chemical calculations of phenol, p-cresol, and ВРА photolysis were performed and the mechanism of photoreaction and the efficiency of O-H bond braking were considered depending on the molecular interaction and the excitation energy.…”

Section: Photolysis Of the Considered Moleculesmentioning

confidence: 99%

Spectral-Luminescent Properties and Photolysis of Some Phenol Derivatives

2021

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The spectral-luminescent properties and photolysis of phenol and some of its derivatives have been considered experimentally and by methods of quantum chemistry. It has been shown that the substitution with a methyl group (p-cresol) and the introduction of the second benzene ring (bisphenol A) lead to a shift of absorption bands toward longer wavelengths and some changes in their intensity. The non-planar structure of p-cresol and bisphenol A promotes an increase in the efficiency of singlet-triplet conversion and a decrease in the fluorescence quantum yield. Results of calculations have established the mechanisms of photolysis of the considered molecular systems. It has been shown that the O-H bond in phenol and p-cresol is broken by the pre-dissociation mechanism. Photolysis of bisphenol A upon exposure to solar radiation proceeds by the mechanism of direct dissociation, but with a noticeable potential barrier (~12000 cm -1 ).

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Section: Photolysis Of the Considered Moleculesmentioning

confidence: 99%