The highest oxidation states of the transition metal elements

被引:173
作者
Riedel, Sebastian [1 ]
Kaupp, Martin [2 ]
机构
[1] McMaster Univ, Dept Chem, Hamilton, ON, Canada
[2] Univ Wurzburg, Inst Anorgan Chem, D-97074 Wurzburg, Germany
关键词
Fluorine chemistry; High oxidation states; Oxo complexes; Oxyfluorides; Quantum-chemical calculations; Transition metal elements; DENSITY-FUNCTIONAL THEORY; OSMIUM TETRAFLUORIDE DIOXIDE; COUPLED-CLUSTER CALCULATIONS; PLESSET PERTURBATION-THEORY; NUCLEAR-MAGNETIC-RESONANCE; ABSORPTION FINE-STRUCTURE; MATRIX INFRARED-SPECTRA; TC-99; NMR-SPECTROSCOPY; RAY CRYSTAL-STRUCTURE; ELECTRONIC-STRUCTURE;
D O I
10.1016/j.ccr.2008.07.014
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The highest accessible formal oxidation states of the d-block elements are scrutinized, both with respect to the available experimental evidence and quantum-chemical predictions. The focus is on fluoride, oxide, and oxyfluoride systems. The field has evolved significantly over the past 15 years due to the availability of quantitative computational predictions of thermochemical stabilities, and of spectroscopical parameters of a number of key molecules. The demands on the computational methodology used, as well as the experimental boundary conditions needed are reviewed, and reasons for the observed trends in oxidation states throughout the 3d, 4d, 5d, and 6d series are discussed. (C) 2008 Elsevier B.V. All rights reserved.
引用
收藏
页码:606 / 624
页数:19
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