Published March 2019
| Version v1
Journal article
Radical Reorganization Energies
Creators
- 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.