THE ESR STUDY OF REACTIVITY OF PERFLUOROACETYLDIISOPROPYLMETHYL RADICAL

Authors
SHAPOSHNIKOVA EN AVETISYAN EA STERLIN SR BUBNOV NN SOLODOVNIKOV CP CHISTYAKOV AL STANKEVICH IV TUMANSKII BL
Citation
En. Shaposhnikova et al., THE ESR STUDY OF REACTIVITY OF PERFLUOROACETYLDIISOPROPYLMETHYL RADICAL, Russian chemical bulletin, 46(11), 1997, pp. 1851-1854
Citations number
8
Journal title
Russian chemical bulletin → ACNP
ISSN journal
10665285
Volume
46
Issue
11
Year of publication
1997
Pages
1851 - 1854
Database
ISI
SICI code
1066-5285(1997)46:11<1851:TESORO>2.0.ZU;2-M
Abstract
The kinetics of hydrogen abstraction from hydrocarbons by the air-stab le perfluoroacetyldiisopropylmethyl radical was studied by ESR, and a reaction mechanism was proposed. The degree of delocalization of the u npaired electron in the model C(5)F-3-C(1)(.)[C(2)(O(4))C(3)F-3]C(6)F- 3 radical was calculated by the MNDO/PM3 method in the UHF approximati on. For the conformation in which the CO group lies in the plane passi ng through the C(1), C(2), and C(5) atoms, the electron density on the O atom is 0.22.