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 |
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Hauptverfasser: | , , , |
Format: | Artikel |
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. |
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ISSN: | 1066-5285 1573-9171 |
DOI: | 10.1007/s11172-021-3089-3 |