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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.
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页码:179 / 184
页数:6
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