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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Time-resolved IR spectroscopy of a trinuclear palladium complex in solution
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Time-resolved IR spectroscopy of a trinuclear palladium complex in solution

机译：溶液中三核钯配合物的时间分辨红外光谱

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This paper presents a combined spectroscopic and theoretical analysis of a trinuclear [Pd-3{Si(mt(Me))(3)}(2)] complex (mt(Me) = methimazole) which has been demonstrated to be a potential catalyst for coupling reactions. It is a highly symmetric model system (D-3 in the electronic ground state) for the investigation of electronic states and the structure of polynuclear transition metal complexes. Different time-resolved IR spectroscopic methods covering the femtosecond up to the microsecond range as well as density functional computations are performed to unravel the structure and character of this complex in the electronically excited state. These are the first time-resolved IR studies on a trinuclear Pd complex. Based on the interplay between the computational results and those from the IR studies a (3)A state is identified as the lowest lying triplet state which has C-2 symmetry.
机译：本文介绍了三核[Pd-3 {Si（mt（Me））（3）}（2）]配合物（mt（Me）=甲他唑）的光谱学和理论分析相结合的方法，已证明是潜在的催化剂用于偶联反应。这是一个高度对称的模型系统（电子基态为D-3），用于研究电子态和多核过渡金属配合物的结构。进行了涵盖飞秒直至微秒范围的不同时间分辨红外光谱方法以及密度泛函计算，以揭示电子激发态下该复合物的结构和特征。这些是对三核Pd配合物的首次时间分辨IR研究。基于计算结果与IR研究的相互作用，将（3）A状态确定为具有C-2对称性的最低价三重态。

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