ISSN:
0018-019X
Keywords:
Chemistry
;
Organic Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Effects of the Nature of the C(1) Substituent on the Conformational Equilibrium of (E)-derivatives of 3-Methoxypropene: Determination of the origin of the phenomenon using energy partitioning techniquesIntermolecular interactions taking place in the compounds of the general formula (E)-CH3OCH2CH=CHX were analyzed in terms of one- and two-center interaction energies within the framework of SCF ab initio (STO-3G), Extended Hückel and CNDO methods. The results confirmed the important role of unoccupied orbitals in the stabilization of the different conformers.
Additional Material:
7 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/hlca.19810640628