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Isolation, X-ray single crystal and theoretical study of quinquevalent metal oxoisopropoxides, Nb6O8(PrO)14(PrOH)2 and Re4O6(OPr)10 |
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| Authors: | Gulaim A Seisenbaeva Pavel A Shcheglov |
| Institution: | a Department of Chemistry, Swedish University of Agricultural Sciences, Box 7015, 75007 Uppsala, Sweden b Materials Science Department, Moscow State University, 119992 Moscow, Russia c Moscow State Academy of Fine Chemical Technology, Pr. Vernadskogo 86, 117571 Moscow, Russia |
| Abstract: | Oxoisopropoxide complexes of niobium, Nb6O8(iPrO)14(iPrOH)2 (I), and rhenium, Re4O6(OiPr)10 (II), were isolated as byproducts of anodic oxidation of these metals in iPrOH in the presence of LiCl as conductive additive. The common feature of both structures consists in the occurrence in their molecules of an M4O16 planar core formed in the formal absence of M-M bonding for I and in the presence of electron-deficient but surprisingly short (Re-Re 2.52-2.54 Å) metal-metal bonds in II. The stability of this core for the oxoalkoxide derivatives of rhenium(V,VI) and niobium(V) and poor stability for those of tantalum(V) are discussed based on the results of quantum-chemical calculations. |
| Keywords: | Niobium Rhenium Oxoalkoxides Electrochemical synthesis X-ray single crystal Metal-metal bonds Molecular structure EHT calculations |
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