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

来源：

INORGANIC CHEMISTRY | 2021年 / 60卷 / 19期

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

页码：14759 / 14764

页数：6

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