メチロールメラミンのオリゴマーモデルとしてのメラミン3核体の構造に関する分子軌道法による考察 (1) 平面型のメラミン3核体モデル:メチロールメラミンの電子的性質に関する分子軌道法による研究(第9報)

概要

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The models of melamine-trimer were composed of the most stable C<SUB>2v</SUB> model of melamine-dimer (MA (180)) previously determined by the CNDO/2 method. The three models obtained are most stable among the six models and their energies are almost same each other. The valence electron charge density, π-charge density, and π-bond order of the trimer models are not so different from those of melamine, methylolmelamine, and melamine-dimer models. Therefore, the calculated results suggest that the electronic properties of methylolmelamines, melamine-dimer, and melamine-trimer mainly result from that of melamine ring. The effect of methylation on the electronic property of melamine-oligomer seems to be small.
Japan Thermosetting Plastics Industry Associationの論文