Specific nonbonded interactions in the structures of M3X74+ and M3X44+ (M=Mo, W; X=O, S, Se) clusters
Specific nonbonded interactions in the structures of M3X74+ and M3X44+ (M=Mo, W; X=O, S, Se) clusters
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M3X74 和 M3X44 (M=Mo, W; X=O, S, Se) 簇结构中的特定非键相互作用
DOI：
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发表时间：
1993
期刊：
影响因子：
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通讯作者：
N. Podberezskaya
中科院分区：
文献类型：
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作者：
A. V. Virovets;N. Podberezskaya
研究了（μ3−X）（μ2−X2）3M34+和（μ3−X）（μ2−X）3M34+ （M = Mo， W; X = 0， S, Se）簇中涉及硫原结构的特定非键相互作用（SNI）。占据相对于M3平面轴向位置的X2配体的X原子与反离子或相同离子的N、硫或卤化物之间形成明显短于范德华半径或离子半径之和的离子间接触。在几种M3X44+衍生物的结构中观察到含有（μ2-X2）配体的中心对称二聚体。X……X距离也比范德华半径的和要小得多。尽管类似带电物质存在库仑排斥力，但SNI开放仍会发生。SNZ使用现有数据进行分类。它们在晶体结构的形成中起着一定的作用。
Specific nonbonded interactions (SNI) involving the chalcogens in the structures of (μ3−X)(μ2−X2)3M34+ and (μ3−X)(μ2−X)3M34+ (M = Mo, W; X = 0, S, Se) clusters are examined. Interionic contacts significantly shorter than the sum of the van der Waals or ionic radii are fomd between the X atom of the X2 ligands that occupy the axial position relative to the M3 plane and the N, chalcogen, or halide of the counterion or identical ion. Centrosymmetric dimers involving the (μ2-X2) ligands are observed in the stmctures of several M3X44+ derivatives. The X...X distance in these is also much less than the sum of the van der Waals radii. These SNI open occur in spite of the Coulombic repulsion of similarly charged species. The SNZ are classified using existing data. They play a definite role in forming of the crystal structure.