ISSN:
0009-2940
Keywords:
Diradical
;
Oxygen trapping
;
Heat of formation
;
Energy well
;
ESR spectrum
;
Singlet-triplet splitting
;
Cope rearrangement, nonconcerted
;
Chemistry
;
Inorganic Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The Energy-Well of Diradicals, IV[1]. - 2-Methylene-1,4-cyclohexadiylThe energy surface of the title compound 2 is derived from the kinetics of its precursors 5, 6, 7, and 8, the oxygen dependance of its trapping rate, and heat of hydrogenation measurements of 5, 6, 7, and 15. These data lead to a heat of formation for the diradical 2 of 69.8 kcal/mol and an energy well of 8.2 kcal mol-1. From the Curie plot of the ESR spectrum and oxygen trapping experiments a singlet-triplet splitting of 1.4 kcal mol-1 is indicated, with the triplet being the ground state.
Additional Material:
6 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/cber.19931261221
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