Beyond Oxidation States: Distinguishing Chemical States of Gallium in Compounds with Multiple Gallium Centers
Beyond Oxidation States: Distinguishing Chemical States of Gallium in Compounds with Multiple Gallium Centers
复制标题
超越氧化态：区分具有多个镓中心的化合物中镓的化学态
DOI：
10.1021/acs.inorgchem.6b03083
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发表时间：
2017
影响因子：
4.6
通讯作者：
Liu Lijia
中科院分区：
文献类型：
--
作者：
Yang Linju;Bourque Jeremy L.;McLeod John A.;Shen Pengfei;Baines Kim M.;Liu Lijia
利用X射线吸收光谱（XAS）结合从头计算研究了一系列镓配合物的电子结构。Ga的化学状态受配体和成键环境的强烈影响。对于含有多个镓位点的复合物，我们证明XAS可以识别每个独特的镓中心的化学状态。只有当实验和理论方法相结合时，才能可靠地理解具有强核心-配体相互作用的配位络合物中核心元素的化学性质。
The electronic structures of a series of gallium complexes are examined using X-ray absorption spectroscopy (XAS) in combination with ab initio calculations. The chemical states of Ga are strongly affected by the ligands and the bonding environment. For complexes containing multiple gallium sites, we demonstrate that XAS can identify the chemical state of each unique gallium center. A reliable understanding of the chemical nature of the core element in a coordination complex with strong core–ligand interaction can be obtained only when both experimental and theoretical approaches are combined.