Enthalpies of formation of phenylaminyl radicals

Autor:	E. M. Chernova, M. Yu. Orlov, Yu. D. Orlov, Vladimir V. Turovtsev
Rok vydání:	2021
Předmět:	010405 organic chemistry Computational chemistry Chemistry Radical Molecule General Chemistry 010402 general chemistry 01 natural sciences Dissociation (chemistry) Standard enthalpy of formation 0104 chemical sciences
Zdroj:	Russian Chemical Bulletin. 70:330-335
ISSN:	1573-9171 1066-5285
DOI:	10.1007/s11172-021-3089-3
Popis:	Enthalpies of formation (ΔfH∘) for 31 radicals of the series of substituted Ph-N∙H and Ph-N∙-Ph were determined for the first time. The calculations were based on the dissociation energies of N-H bonds in the corresponding molecules and their ΔfH∘. A quantitative “structure—enthalpy of formation” correlation was established for these radicals within the framework of the additive-group approach. The ΔfH∘ of radicals were analyzed and the most reliable values were suggested.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::88548d27a9fffc549f00ffec5f0cc3b6 https://doi.org/10.1007/s11172-021-3089-3 Zobrazit plný text záznamu Full text from SpringerLink