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- Title
Energy characteristics of chemical bonds and radical reorganizations.
- Authors
Miroshnichenko, E.; Orlov, Yu.; Kon'kova, T.; Matyushin, Yu.; Berlin, A.
- Abstract
Based on relationships between the mean thermochemical bond energies (MTBEs), bond dissociation energies, and enthalpies of atomization, a method have been proposed for calculation of MTBEs and the energies of reorganization of molecular fragments into radicals (radical reorganization energies) in the course of a monomolecular radical decomposition reaction. The method makes it possible to calculate the radical reorganization energies and MTBEs of organic and organometallic compounds, including polyradicals and aromatic compounds.
- Subjects
BOND energy (Chemistry); THERMOCHEMISTRY; CHEMICAL bonds; RADICALS (Chemistry); AROMATIC compounds; PHYSICAL &; theoretical chemistry research
- Publication
Doklady Physical Chemistry, 2015, Vol 465, Issue 1, p287
- ISSN
0012-5016
- Publication type
Article
- DOI
10.1134/S0012501615110081