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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Oxo-carboxylato-molybdenum(vi) complexes possessing dithiolene ligands related to the active site of type II DMSOR family molybdoenzymes
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Oxo-carboxylato-molybdenum(vi) complexes possessing dithiolene ligands related to the active site of type II DMSOR family molybdoenzymes

机译:具有二硫代烯配体的II型DMSOR家族钼酶活性位点的羰基羰基钼(vi)配合物

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摘要

Spectroscopic and kinetic studies indicate that oxo-carboxylato- molybdenum(vi) bis-dithiolene complexes, (Mo~(VI)O(p-X-OBz)L_2), have been generated at low temperature as active site structural models for the type II class of pyranopterin molybdenum DMSOR family enzymes. A DFT analysis of low energy charge transfer bands shows that these complexes possess a Mo-S_(dithiolene) π-bonding interaction between the Mo(d_(xy)) redox active molecular orbital and a cis S(p_z) donor orbital located on one of the dithiolene ligands.
机译:光谱和动力学研究表明,氧-羧基钼钼(vi)双-二硫代噻吩配合物(Mo〜(VI)O(pX-OBz)L_2)在低温下已作为II类活性位点结构模型生成opter呤钼DMSOR家族酶的合成对低能电荷转移带的DFT分析表明,这些配合物在Mo(d_(xy))氧化还原活性分子轨道和一个顺式S(p_z)供体轨道之间具有Mo-S_(dithiolene)π键相互作用的二硫代烯配体。

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