CH-π and CF-π Interactions Lead to Structural Changes of N-Heterocyclic Carbene Palladium Complexes

被引：36
作者：
Xu, Xiangya [1 ,2 ,3 ]
Pooi, Benjamin [1 ,2 ,3 ]
Hirao, Hajime [4 ]
Hong, Soon Hyeok [1 ,2 ,3 ]
机构：
[1] Inst for Basic Sci Korea, Ctr Nanoparticle Res, Seoul 151742, South Korea
[2] Seoul Natl Univ, Dept Chem, Coll Nat Sci, Seoul 151747, South Korea
[3] Korea Carbon Capture & Sequestrat R&D Ctr, Taejon 305303, South Korea
[4] Nanyang Technol Univ, Sch Phys & Math Sci, Div Chem & Biol Chem, Singapore 637371, Singapore
来源：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2014年 / 53卷 / 05期
基金：
新加坡国家研究基金会;
关键词：
conformation analysis; hydrogen bonds; noncovalent interactions; palladium; pi interactions; CH/PI HYDROGEN-BOND; CRYSTAL-STRUCTURE; BASIS-SETS; NONCOVALENT INTERACTIONS; CORRELATION-ENERGY; CD AMPLITUDE; LIGANDS; SUBSTITUENT; THERMOCHEMISTRY; APPROXIMATION;
D O I：
10.1002/anie.201309371
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The role of CH-pi and CF-pi interactions in determining the structure of N-heterocyclic carbene (NHC) palladium complexes were studied using H-1 NMR spectroscopy, X-ray crystallography, and DFT calculations. The CH-pi interactions led to the formation of the cis-anti isomers in 1-aryl-3-isopropylimidazol-2-ylidene-based [(NHC)(2)PdX2] complexes, while CF-pi interactions led to the exclusive formation of the cis-syn isomer of diiodobis(3-isopropyl-1-pentafluorophenylimidazol-2-ylidene) palladium(II).
引用
收藏
页码：1283 / 1287
页数：5
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