Enthalpies of formation of phenylaminyl radicals

Enthalpies of formation (Δ f H ∘ ) 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 Δ f H ∘ . A quantitative “structure—enthalpy of f...

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Veröffentlicht in:Russian chemical bulletin 2021-02, Vol.70 (2), p.330-335
Hauptverfasser: Chernova, E. M., Orlov, M. Yu, Turovtsev, V. V., Orlov, Yu. D.
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Sprache:eng
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Zusammenfassung:Enthalpies of formation (Δ f H ∘ ) 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 Δ f H ∘ . A quantitative “structure—enthalpy of formation” correlation was established for these radicals within the framework of the additive-group approach. The Δ f H ∘ of radicals were analyzed and the most reliable values were suggested.
ISSN:1066-5285
1573-9171
DOI:10.1007/s11172-021-3089-3