ENDOR-determined solvation structure of vanadyl(2+) in frozen solutions
ENDOR-determined solvation structure of vanadyl(2+) in frozen solutions
复制标题
ENDOR 测定冷冻溶液中氧钒 (2 ) 的溶剂化结构
DOI：
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发表时间：
1988
期刊：
影响因子：
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通讯作者：
M. W. Makinen
中科院分区：
文献类型：
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作者：
D. Mustafi;M. W. Makinen
The solvation structure of the vanadyl ion (VO/sup 2 +/) in methanol and in water-methanol mixtures has been investigated by application of /sup 1H/ and /sup 13/C electron nuclear double resonance (ENDOR) spectroscopy. The ligand origins of the proton ENDOR resonances have been assigned with use of materials selectively enriched with /sup 2/H. The principal hyperfine coupling (hfc) components of both /sup 1/H and /sup 13/C in solvent molecules coordinated to the VO/sup 2 +/ ion have been determined by analysis of the H/sub 0/ dependence of the ENDOR spectra. The ENDOR results provide unambiguous evidence that in water-methanol mixtures only VO(H/sub 2/O)/sub 5//sup 2 +/ and (VO(H/sub 2/O)/sub 4/(CH/sub 3/OH))/sup 2 +/ species are formed. In pure methanol the VO(CH/sub 3/OH)/sub 5//sup 2 +/ species is observed. The coordination geometries of the VO/sup 2 +/ complexes are deduced from ENDOR estimates of metal-nucleus distances by using computer-based molecular graphics. It is shown on the basis of molecular modeling that the ENDOR-determined metal-nucleus distances are best accounted for by complexes of tetragonal-pyramidal geometry. 29 references, 9 figures, 7 tables.
