Distorted Copper(II) Complex with Unusually Short CF•••Cu Distances

被引:4
|
作者
Cody, Claire C. [1 ,2 ]
Kelly, H. Ray [1 ,2 ]
Mercado, Brandon Q. [1 ]
Batista, Victor S. [1 ,2 ]
Crabtree, Robert H. [1 ,2 ]
Brudvig, Gary W. [1 ,2 ]
机构
[1] Yale Univ, Dept Chem, New Haven, CT 06520 USA
[2] Yale Univ, Yale Energy Sci Inst, New Haven, CT 06520 USA
基金
美国国家科学基金会;
关键词
MOLECULAR-ORBITAL METHODS; CARBON-FLUORINE BONDS; GAUSSIAN-BASIS SETS; COORDINATION CHEMISTRY; WATER OXIDATION; INDEX; ATOMS;
D O I
10.1021/acs.inorgchem.1c01958
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
We find a Cu(II)-(L-CF3)(2) complex (L-CF3 = 2,2,2-trifluoro-N-[2-(pyridin-2-yl)propan-2-yl]acetamide) with a distorted "seesaw" geometry. It has the shortest crystallographic CF center dot center dot center dot Cu distances yet reported, to the best of our knowledge (<2.6 A), for which computational and experimental data indicate a secondary bonding interaction. A comparison with a CCl3 version and one without ligand backbone gem-dimethyl groups suggests a steric origin for the distorted geometry, resulting from the specific ligand interactions.
引用
收藏
页码:14759 / 14764
页数:6
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