High-spin carbonyl complexes of iron(i) and cobalt(i)

被引:10
作者
Schneider, Christian [1 ]
Guggotz, Lukas [1 ]
Werncke, C. Gunnar [1 ]
机构
[1] Philipps Univ Marburg, Chem Dept, Hans Meerwein Str 4, D-35032 Marburg, Germany
关键词
AUXILIARY BASIS-SETS; ENERGY; BOND; APPROXIMATION; MONOXIDE; BINDING; CO;
D O I
10.1039/d1dt03924e
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Metal carbonyl complexes are almost exclusively found in a low-spin state due to the strong-field nature of the CO ligand. Here the characterisation of highly labile three-coordinate metal(i) monocarbonyl complexes of iron and cobalt is presented. Experimental and quantum chemical examinations reveal their high-spin configuration.
引用
收藏
页码:179 / 184
页数:6
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