THE ENERGY-WELL OF DIRADICALS .4. 2-METHY LENE-1,4-CYCLOHEXADIYL

Authors
ROTH WR WOLLWEBER D OFFERHAUS R REKOWSKI V LENNARTZ HW SUSTMANN R MULLER W
Citation
Wr. Roth et al., THE ENERGY-WELL OF DIRADICALS .4. 2-METHY LENE-1,4-CYCLOHEXADIYL, Chemische Berichte, 126(12), 1993, pp. 2701-2715
Citations number
41
Categorie Soggetti
Chemistry
Journal title
Chemische Berichte → ACNP
ISSN journal
00092940
Volume
126
Issue
12
Year of publication
1993
Pages
2701 - 2715
Database
ISI
SICI code
0009-2940(1993)126:12<2701:TEOD.2>2.0.ZU;2-U
Abstract
The energy surface of the title compound 2 is derived from the kinetic s of its precursors 5, 6, 7, and 8, the oxygen dependance of its trapp ing rate, and heat of hydrogenation measurements of 5, 6, 7, and 15. T hese 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 th e ESR spectrum and oxygen trapping experiments a singlet-triplet split ting of 1.4 kcal mol(-1) is indicated, with the triplet being the grou nd state.