熱硬化性樹脂
Online ISSN : 2186-5361
Print ISSN : 0388-4384
ISSN-L : 0388-4384
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)
犬塚 功三
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ジャーナル フリー

1985 年 6 巻 3 号 p. 135-141

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The models of melamine-trimer were composed of the most stable C2v 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.
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