Spectral and Quantum-Chemical Study of Basicity of Phenyl-Substituted Porphyrinoids

Autor:	A. E. Likhonina, O. V. Shukhto, I. N. Serov, М. А. Krest’yaninov, D. B. Berezin, D. R. Karimov
Rok vydání:	2020
Předmět:	Quantum chemical Absorption spectroscopy 010405 organic chemistry Cationic polymerization General Chemistry 010402 general chemistry 01 natural sciences 0104 chemical sciences chemistry.chemical_compound chemistry Trifluoroacetic acid Physical chemistry Benzene Acetonitrile Natural bond orbital
Zdroj:	Russian Journal of General Chemistry. 90:977-986
ISSN:	1608-3350 1070-3632
Popis:	The electronic absorption spectra of cationic forms of porphyrinoids in acetonitrile or benzene with the addition of acetic or trifluoroacetic acid have been studied and the values of the acid-base interaction constants have been calculated. The order of changes in the basicity of the studied compounds obtained from spectrophotometric, quantum-chemical (DFT, B3LYP, and CC-pVDZ using NBO analysis), and thermodynamic data have been consistent.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::f9c26714ce5118acfcf4b3c81e4dc175 https://doi.org/10.1134/s1070363220060079 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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