摘要
研究了六钼酸盐的2,6-二甲基苯胺的邻、对位二取代衍生物的UV/Vis1、H-NMR和UV-Vis-NIR反射光谱,发现六钼酸盐的对位二取代衍生物中存在更大的π共轭离域体系。结合量子化学π共轭离域体系的计算结果,成功地解释了二者的光谱特征的差别,从实验的角度证实这类前过渡金属的同多酸阴离子[M6O19]n-(M=Mo和W,n=2;M=V和Nb,n=8)中存在类芳香性。
It has been concluded that there is a larger conjugated system in trans-bifunctionalized organoimido derivatives of hexamolybdate than in cis-bifunctionalized derivatives by comparison of their UV/Vis, ^1H-NMR and UV-Vis-NIR spectra. Quantum mechanical calculations on the π conjugated systems can be used to explain the differences in the spectra of the isomers. The results confirm the presence of quasi-aromaticity in [ Mo6O19]^2- and similar cluster anions [M6O19]^ n - （M = Mo, W, n = 2 ; M = V, Nb, n = 8）.
出处
《北京化工大学学报（自然科学版）》
EI
CAS
CSCD
北大核心
2006年第3期94-97,102,共5页
Journal of Beijing University of Chemical Technology(Natural Science Edition)
基金
国家自然科学基金(20201001)
关键词
六钼酸盐
二取代衍生物
类芳香性
光谱
hexamolybdate
bifunctionalized derivatives
quasi-aromaticity
spectra
