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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Infrared Photodissociation Spectroscopy of Mass-Selected Homoleptic Cobalt Carbonyl Cluster Cations in the Gas Phase
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Infrared Photodissociation Spectroscopy of Mass-Selected Homoleptic Cobalt Carbonyl Cluster Cations in the Gas Phase

机译：气相选择的均质钴钴羰基簇阳离子的红外光解离光谱

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摘要

Infrared spectra of mass-selected homoleptic cobalt carbonyl cluster cations including dinuclear Co_2(CO)_8~+ and Co_2(CO)_9~+, trinuclear Co_3(CO)_(10)~+ and Co_3(CO)_(11)~+, as well as tetranuclear Co_4(CO)_(12)~+ are measured via infrared photodissociation spectroscopy in the carbonyl stretching frequency region. The geometric structures of these complexes are determined by comparison of the experimental spectra with those calculated by density functional theory. The Co_2(CO)_8~+ cation is characterized to have a Co-Co bonded structure with Cs symmetry involving a bridging CO ligand. The Co_2(CO)_9~+ cation is determined to be a mixture of the CO-tagged Co_2(CO)_8~+-CO complex and the Co(CO)_5~+- Co(CO)4 ion-molecular complex. The Co_3(CO)_(10)~+ cation is the coordinationsaturated trinuclear cluster, which is characterized to have a triangle Co_3 core with C2 symmetry involving two edge-bridging and eight terminal CO ligands. The Co_3(CO)_(11)~+ cation is a weakly bound complex involving a Co_3(CO)_(10)~+ core ion. The Co_4(CO)_(12)~+ cluster cation is deduced to have a tetrahedral Co_4~+ core structure with three edge-bridging and nine terminal carbonyls.
机译：质量选择的均相钴羰基簇离子的红外光谱，包括双核Co_2（CO）_8〜+和Co_2（CO）_9〜+，三核Co_3（CO）_（10）〜+和Co_3（CO）_（11）〜通过红外光解离光谱法在羰基拉伸频率范围内测量+以及四核Co_4（CO）_（12）〜+。通过将实验光谱与通过密度泛函理论计算的光谱进行比较，可以确定这些配合物的几何结构。 Co_2（CO）_8〜+阳离子的特征在于具有Cos-Co键结结构，具有Cs对称性，涉及桥接CO配体。 Co_2（CO）_9〜+阳离子被确定为带有CO标签的Co_2（CO）_8〜+ -CO配合物和Co（CO）_5〜+ -Co（CO）4离子-分子配合物的混合物。 Co_3（CO）_（10）〜+阳离子是配位饱和的三核簇，其特征是具有C2对称的三角形Co_3核，涉及两个边缘桥接和八个末端CO配体。 Co_3（CO）_（11）〜+阳离子是弱结合的络合物，涉及Co_3（CO）_（10）〜+核心离子。推导了Co_4（CO）_（12）〜+簇阳离子具有四面体Co_4〜+核结构，具有三个边缘桥接和九个末端羰基。

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