Published March 2019 | Version v1
Journal article

Radical Reorganization Energies

  • 1. Russian Academy of Sciences, Semenov Institute of Chemical Physics (Russian Federation)
  • 2. Tver State University (Russian Federation)
  • 3. Moscow State University (Russian Federation)

Description

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.

Additional details

Identifiers

Publishing Information

Journal Title
Russian Journal of Physical Chemistry B
Journal Volume
13
Journal Issue
2
Journal Page Range
p. 225-230
ISSN
1990-7931

INIS

Country of Publication
Russian Federation
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
52038272
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Descriptors DEI
ATOMIZATION; BINDING ENERGY; CHEMICAL BONDS; DISSOCIATION ENERGY; FORMATION HEAT; RADICALS
Descriptors DEC
ENERGY; ENTHALPY; PHYSICAL PROPERTIES; REACTION HEAT; THERMODYNAMIC PROPERTIES

Optional Information

Copyright
Copyright (c) 2019 Pleiades Publishing, Ltd.