硫氰酸三乙四铜(II)的单晶电子和电子自旋共振谱

R. J. Dudley, B. Hathaway
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引用次数: 7

摘要

测定了硫氰酸三乙四铜(II)的极化单晶电子能谱和e.s.r.能谱。单晶g值与晶体学数据的相关性表明,近似方形锥体的CuN4S发色团存在一个xy基态。电子谱用C2v有效对称解释,得到了一个暂定的部分单电子轨道顺序:dxy > dz2 > dxz’≈dyz。为讨论六坐标铜(II)配合物的立体化学而引入的变四方畸变的概念,被扩展到涵盖五坐标方锥体立体化学。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Single-crystal electronic and electron spin resonance spectra of thiocyanatotriethylenetetraminecopper(II) thiocyanate
The polarised single-crystal electronic spectra and e.s.r. spectra of thiocyanatotriethylenetetraminecopper(II) thiocyanate have been measured. The correlation of the single-crystal g-values and the crystallographic data suggest a dxy ground-state for the approximately square-pyramidal CuN4S chromophore present. The electronic spectra are interpreted in C2v effective symmetry and yield a tentative partial one-electron orbital sequence: dxy > dz2 > dxz′≈dyz. The concept of varying tetragonal distortion, introduced to discuss the stereochemistry of six-co-ordinate copper(II) complexes, is extended to cover a five-co-ordinate square-pyramidal stereochemistry.
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