Molecular orbital studies of ethylenediamine conformations.
Semiempirical quantum mechanical treatments are applied to the ethylenediamine di-cation, mono-action, and neutral molecule by the use of the extended Huckel theory.The minimum energies of conformations of molecules for rotation about the CH(2)-CH(2) axis is found. The theoretical predictions for the conformation with minimum values. The importance of the ethylenediamine conformations are discussed.
Department of Chemistry, University of Utah, Salt Lake City, Utah 84112.
M S
MS
Jhon
U L
UL
Cho
L B
LB
Kier
H
H
Eyring