Japan Thermosetting Plastic Industry Association
Online ISSN : 2186-5361
Print ISSN : 0388-4384
ISSN-L : 0388-4384
Theoretical Considerations on Conformation of Melamine Trimer Models by the Molecular Orbital Method (2). Twisted Melamine Trimer Models and Conformation of Melamine Oligomer Model
Kozo INUZUKARyuichi SHIBA
Author information
JOURNAL FREE ACCESS

1987 Volume 8 Issue 4 Pages 196-202

Details
Abstract
The total energies of the planar melamine-trimer models and the twisted models by 60 degrees were calculated by the CNDO/2 and EHMO methods.
It was noted that the energy difference between the planar and twisted trimer models is relatively small and it is within 1 kcal/mol. The calculated results suggest that the weight of the twisted structure in the conformation of oligomer may increase as the number of triazine ring of the oligomer increases.
In the present paper the conformation of melamine oligomer with twelve or thirteen triazine rings was evaluated assuming that the mixing rate of the planar dimer model to the twisted dimer is 1. The present oligomer models showed that there is no any hydrogen bond in the models.
Content from these authors
© Japan Thermosetting Plastics Industry Association
Previous article Next article
feedback
Top