Details

Autor(en) / Beteiligte

• Miroshnichenko, E. A.
• Kon’kova, T. S.
• Matyushin, Yu. N.
• Orlov, Yu. D.
• Pashchenko, L. L.
• Vorob’ev, A. B.
• Inozemtsev, A. V.

Titel

Radical Reorganization Energies

Ist Teil von

• Russian journal of physical chemistry. B, 2019-03, Vol.13 (2), p.225-230

Ort / Verlag

Moscow: Pleiades Publishing

Erscheinungsjahr

2019

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• We consider a quantitative framework that joins together a series of key energy parameters of chemical compounds: enthalpy of formation, atomization enthalpy, bond dissociation energy, mean thermochem-ical bond energies, and radical reorganization energy (i.e., the energy associated with reorganization of molecular fragments into corresponding radicals). The results of these calculations for more than 70 radicals are provided. A double difference technique is proposed for calculations of enthalpies of formation of radicals. The radical reorganization energies obtained here and in other studies are compared.