Syntheses, structural characterizations and electronic absorption spectra simulation of three phenylimido substituted hexamolybdates incorporating a remote chloro group
Syntheses, structural characterizations and electronic absorption spectra simulation of three phenylimido substituted hexamolybdates incorporating a remote chloro group
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含有远程氯基团的三种苯基亚氨基取代的六钼酸盐的合成、结构表征和电子吸收光谱模拟
DOI：
10.1016/j.ica.2007.11.031
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发表时间：
2008-06
影响因子：
2.8
通讯作者：
Wei, Yongge
中科院分区：
文献类型：
--
作者：
Guo, Hongyou;Li, Qiang;Zhan, Chang-Guo;Wei, Yongge
在N，N ' -双环己基碳二酰亚胺（DCC）存在下，用[α-Mo8O26]4−与相应的芳香胺类盐酸或芳香胺类及其盐酸盐的混合物反应，制备了三种带有吸电子氯基团的[Mo6O19]2−的单官能化有机亚胺衍生物（R=p-ClC6H41, m-ClC6H42，或o-ClC6H43），纯度高，收率中。通过1h NMR， IR, UV-Vis， UV-Vis - nir反射光谱，循环伏安法对这些配合物进行了表征，并对其半导体和氧化还原性质进行了研究。它们的电子吸收光谱也基于第一性原理电子结构计算进行了解释，模拟光谱的这些特征与观测到的紫外光谱定性一致。另外，通过x射线单晶衍射进一步证实了化合物1和2的组成和结构。
Three monofunctionalized organoimido derivatives of [Mo6O19]2−bearing an electron-withdrawing chloro group (R=p-ClC6H41, m-ClC6H42, or o-ClC6H43) have been prepared in high purity and moderate to good yields using an easy reaction route of [α-Mo8O26]4−with corresponding aromatic amine hydrochlorides or a mixture of aromatic amines and their hydrochloride salts in the presence of N,N′-dicyclohexylcarbodiimide (DCC). These complexes have been characterized by1H NMR, IR, UV–Vis, UV–Vis-NIR reflectance spectroscopy, cyclic voltammetry, and their semiconductive and redox properties were explored by these techniques. Their electronic absorption spectra were also interpreted based on first-principles electronic structure calculations and these features of the simulated spectra are qualitatively consistent with the observed UV spectra. Additionally, the composition and structure of compounds 1 and 2 were further confirmed by X-ray single-crystal diffraction studies.
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影响因子：
2.8
作者：
Yunfeng Qiu;Lin Xu;Guang-gang Gao;Wenju Wang;Fengyan Li
通讯作者：
Yunfeng Qiu;Lin Xu;Guang-gang Gao;Wenju Wang;Fengyan Li
DOI：
10.1007/0-306-47625-8_3
发表时间：
2001
期刊：
--
影响因子：
--
作者：
A. Proust;R. Villanneau
通讯作者：
A. Proust;R. Villanneau
影响因子：
1.4
作者：
C. Zhan;D. Dixon
通讯作者：
C. Zhan;D. Dixon
影响因子：
2.8
作者：
Eric Maatta
通讯作者：
Eric Maatta
影响因子：
2.8
作者：
A. Proust;R. Thouvenot;M. Chaussade;F. Robert;P. Gouzerh
通讯作者：
A. Proust;R. Thouvenot;M. Chaussade;F. Robert;P. Gouzerh