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
相关论文
共 50 条
  • [1] Experimental and quantum mechanical investigation on two N-heterocyclic carbene palladium complexes
    Ozdemir, Namik
    Touj, Nedra
    Yasar, Sedat
    Hamdi, Naceur
    Ozdemir, Ismail
    MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 2021, 714 (01) : 26 - 36
  • [2] N-heterocyclic carbene tethered amido complexes of palladium and platinum
    Cross, Warren B.
    Daly, Christopher G.
    Ackerman, Rachel L.
    George, Ian R.
    Singh, Kuldip
    DALTON TRANSACTIONS, 2011, 40 (02) : 495 - 505
  • [3] Syntheses and Structural Characterizations of Benzoxazolyl N-Heterocyclic Carbene-Palladium Complexes and Their Applications
    Sun Chao
    Zhou Quan
    Li Chuanying
    Wang Lei
    CHINESE JOURNAL OF ORGANIC CHEMISTRY, 2024, 44 (06) : 1957 - 1966
  • [4] Synthesis of N-Heterocyclic Carbene-Sulfonate Palladium Complexes
    Nagai, Yusuke
    Kochi, Takuya
    Nozaki, Kyoko
    ORGANOMETALLICS, 2009, 28 (20) : 6131 - 6134
  • [5] Bifunctional N-Heterocyclic Carbene Ferrocenyl Ligands - Synthesis and Palladium(II) Complexes
    Loxq, Pauline
    Daran, Jean-Claude
    Manoury, Eric
    Poli, Rinaldo
    Labande, Agnes
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2015, (04) : 609 - 616
  • [6] Investigation of structural and biological properties of N-heterocyclic carbene silver(I) and palladium(II) complexes
    Sayin, Koray
    JOURNAL OF COORDINATION CHEMISTRY, 2018, 71 (20) : 3292 - 3303
  • [7] Synthesis, structural characterization and catalytic activity of two N-heterocyclic carbene-phosphine palladium(II) complexes
    Xu, Chen
    Hao, Xin-Qi
    Li, Zhen
    Dong, Xin-Ming
    Duan, Lu-Meng
    Wang, Zhi-Qiang
    Ji, Bao-Ming
    Song, Mao-Ping
    INORGANIC CHEMISTRY COMMUNICATIONS, 2012, 17 : 34 - 37
  • [8] Structural variations in nickel, palladium, and platinum complexes containing pyrimidyl N-heterocyclic carbene ligand
    Chen, Chao
    Qiu, Huayu
    Chen, Wanzhi
    Wang, Daqi
    JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2008, 693 (20) : 3273 - 3280
  • [9] Bidentate Chelating N-Heterocyclic Carbene Complexes of Palladium: Synthesis and Structure
    Nan, Guangming
    Qin, Yuancheng
    Wei, Zhijun
    SYNTHESIS AND REACTIVITY IN INORGANIC METAL-ORGANIC AND NANO-METAL CHEMISTRY, 2012, 42 (02) : 285 - 290
  • [10] Synthesis and catalytic activity of ionic palladium N-heterocyclic carbene complexes
    Yasar, Sedat
    Akkoc, Mitat
    Ozdemir, Namik
    Ozdemir, Ismail
    TURKISH JOURNAL OF CHEMISTRY, 2019, 43 (06) : 1622 - +
12345