Synthesis and study of pseudoaromatic compounds. IX. A reevaluation of the question of aromatic character in tropones based on data derived from dipole moment measurements and CNDO/2[complete neglect of differential overlap/2] calculations
Synthesis and study of pseudoaromatic compounds. IX. A reevaluation of the question of aromatic character in tropones based on data derived from dipole moment measurements and CNDO/2[complete neglect of differential overlap/2] calculations
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拟芳香族化合物的合成与研究。
DOI：
10.1021/ja01047a017
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发表时间：
1969
影响因子：
15
通讯作者：
Thomas G. Andrews
中科院分区：
文献类型：
--
作者：
D. J. Bertelli;Thomas G. Andrews
结合CNDO/2分子轨道计算，分析了几种不饱和酮和醛的偶极矩。总体而言，该理论能很好地计算酮和醛的偶极矩，并与其他实验证据相结合，得出结论：酮和环酮的偶极性质被严重高估，并且这些体系的基态被充分地描述为聚烯烃。
An analysis of the dipole moments of several unsaturated ketones and aldehydes in conjunction with CNDO/2 molecular orbital calculations is presented. In general this theory is shown to calculate dipole moments of ketones and aldehydes very well, and in conjunction with other experimentalevidence leads to the conclusion that the dipolar character of tropones and tropolones has beengreatly overestimated and that the ground states of these systems are adequately described as polyolefinic.