Hexavanadate-Organogold(I) Hybrid Compounds: Synthesis by the Azide-Alkyne Cycloaddition and Density Functional Theory Study of an Intriguing Electron Density Distribution.
Hexavanadate-Organogold(I) Hybrid Compounds: Synthesis by the Azide-Alkyne Cycloaddition and Density Functional Theory Study of an Intriguing Electron Density Distribution.
复制标题
六钒酸盐-有机金 (I) 杂化化合物：通过叠氮-炔环加成合成和有趣电子密度分布的密度泛函理论研究。
DOI：
10.1021/acs.inorgchem.0c02621
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发表时间：
2020-10
影响因子：
4.6
通讯作者：
S. Petrovskii;Viktoria V. Khistiaeva;A. Sizova;V. Sizov;Aleksandra V Paderina;I. Koshevoy;K. Monakhov;E. Grachova
中科院分区：
文献类型：
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作者：
S. Petrovskii;Viktoria V. Khistiaeva;A. Sizova;V. Sizov;Aleksandra V Paderina;I. Koshevoy;K. Monakhov;E. Grachova
用膦衍生的Au（I）修饰的完全氧化的Lindqvist型六钒酸盐化合物（n-Bu 4 N）2[V6 O 13 {（OCH 2）3CCH 2本文报道了用叠氮化合物合成（N_3C_2C_6H_5）AuP（C_6H_4OMe）_3}_2]（POMNAu）和（n-Bu_4 N）_2 [V_6O_（13）{（OCH_2）_3CCH_2 OCH_2（C_2N_3H）AuP（C_6H_4OMe）_3}_2]（POMCAu）的新方法。炔环加成反应，并通过各种技术表征，包括NMR、IR和UV/维斯光谱和电喷雾电离质谱。电子结构计算揭示了这些模型的混合结的应用在基板表面上的受控电荷传输实验的潜力。
The fully oxidized Lindqvist-type hexavanadate compounds decorated by phosphine-derivatized Au(I) moieties oriented in a transoid fashion (n-Bu4N)2[V6O13{(OCH2)3CCH2(N3C2C6H5)AuP(C6H4OMe)3}2] (POMNAu) and (n-Bu4N)2[V6O13{(OCH2)3CCH2OCH2(C2N3H)AuP(C6H4OMe)3}2] (POMCAu) have been prepared by azide-alkyne cycloaddition reactions and characterized by various techniques, including NMR, IR, and UV/vis spectroscopy and electrospray ionization mass spectrometry. Electronic structure calculations unveil the potential of these model hybrid junctions for application in controlled charge-transport experiments on substrate surfaces.