UNIGE document Scientific Article
previous document  unige:6251  next document
add to browser collection
Title

Steric effects on reaction rates. XI. Solvolysis of tertiary carbon substrates rationalized by molecular mechanics calculations

Authors
Published in Journal of Computational Chemistry. 1989, vol. 10, no. 7, p. 863-868
Abstract The steric energy difference (Est) between tertiary carbenium ions (R+) and the corresponding alcohols has been calculated by MM2 for a series of tertiary nonbridgehead substrates and correlated with their rate of solvolytic reactivity. Satisfactory correlation is obtained, except for p-nitrobenzoates of highly congested substrates. The slope and intercept of the correlations remain almost unchanged if bridge-head substrates are included in the plot. However, the quality of the fit is better for bridgehead substrates alone.
Identifiers
Full text
This document has no fulltext available yet, but you can contact its author by using the form below.
Structures
Citation
(ISO format)
MULLER, Paul, MAREDA, Jiri. Steric effects on reaction rates. XI. Solvolysis of tertiary carbon substrates rationalized by molecular mechanics calculations. In: Journal of Computational Chemistry, 1989, vol. 10, n° 7, p. 863-868. https://archive-ouverte.unige.ch/unige:6251

294 hits

0 download

Update

Deposited on : 2010-04-20

Export document
Format :
Citation style :