[Mo_6O_(17)(NAr)_2]^(2-)的光谱与[Mo_6O_(19)]^(2-)类芳香性的研究  

Spectroscopic studies of [Mo_6O_(17)(NAr)_2]^(2-) and evidence for quasi-aromaticity in [Mo_6O_(19)]^(2-)

作　　者：夏芸[1] 魏永革[2] 郭洪猷[1] 

机构地区：[1]北京化工大学理学院 [2]清华大学化学系,北京100084

出　　处：《北京化工大学学报（自然科学版）》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)

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）.

关 键 词：六钼酸盐 二取代衍生物 类芳香性 光谱 

分 类 号：O611.6[理学—无机化学]