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《Journal of Beijing University of Chemical Technology(Natural Science Edition)》 2006-03
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Spectroscopic studies of [Mo_6O_(17)(NAr)_2]~(2-) and evidence for quasi-aromaticity in [Mo_6O_(19)]~(2-)

XIA Yun~(1,2) WEI Yong-ge~3 GUO Hong-you~1(1.College of Science,Beijing University of Chemical Technology,Beijing 100029;2.J&K Chemical Ltd,Beijing 100029;3.Department of Chemistry,Tsinghua University,Beijing 100084,China)  
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 [Mo_6O_(19)]~(2-) and similar cluster anions [M_6O_(19)]~(n-)(M=Mo,W,n=2;M=V,Nb,n=8).
【Fund】: 国家自然科学基金(20201001)
【CateGory Index】: O621.25
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【Secondary Citations】
Chinese Journal Full-text Database 1 Hits
1 SHAN Li-An, LI Le-Min (Department of Chemistry, Peking University, Beijing, 100871);Studies on Molecular Aromaticity by Means of Natural Bond Orbitals[J];Chemical Research In Chinese Universities;1993-06
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