Abstract

A comprehensive study of the electronic structure of trinuclear molybdenum complexes (NH₄)₂[Mo₃S₁₃] and [Mo₃S₇(dtc)₃]Br with cluster core {Mo₃S₇} and [Mo₃S₄(tu)₈H₂O]Cl₄ complexes with cluster core {Mo₃S₄} is conducted by X-ray emission spectroscopy (XES), X-ray photoelectron spectroscopy (XPS), X-ray absorption near edge structure (XANES) spectroscopy, and quantum chemistry methods. Data were obtained on the partial atomic composition of the highest occupied molecular orbitals and unoccupied molecular orbitals and the nature of atomic interactions within cluster cores.

中文翻译：

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通过 X 射线光谱研究具有 {Mo3S4} 和 {Mo3S7} 核的三核钼簇硫化物的电子结构

摘要

三核钼配合物(NH ₄ ) ₂ [Mo ₃ S ₁₃ ]和[Mo ₃ S ₇ (dtc) ₃ ]Br的电子结构综合研究，具有簇核{Mo ₃ S ₇ }和[Mo ₃ S ₄ ( tu) ₈ H ₂ O]Cl ₄与簇核 {Mo ₃ S ₄配合物} 是通过 X 射线发射光谱 (XES)、X 射线光电子能谱 (XPS)、X 射线吸收近边结构 (XANES) 光谱和量子化学方法进行的。获得了关于最高占据分子轨道和未占据分子轨道的部分原子组成以及簇核内原子相互作用性质的数据。