Electron Transfer Reactions to 1-Adamantyl-, 1-Norbornyl Chlorides, and their Oxo Derivatives. A Theoretical Study.

PIERINI A. B.; SANTIAGO A. N.; ALLENDE S. G.;. VERA M. D.

ARKAUT

Lugar: USA; Año: 2003 vol. X p. 477 - 477

font face="TimesNewRoman"> The neutral and anionic surfaces of bicyclo[2.2.1]hepta-1-yl chloride (1-chloronorbornane 9), 1-chloroadamantane (4), 2-oxo- (10) and 3-oxo-1-chloronorbornane (11), and 5-chloroadamantan-2-one (5), were explored at the B3LYP DFT and at the MP2 levels. The studies explain the relative reactivity of these compounds in electron transfer (ET) SRN1 reactions mainly in relation to the position of the oxo substituent on the rigid bridge. The reactivity related to the ET dissociation of t