π-Type and σ-type cation-π complexes of atomic cations

被引：6
作者：
Chen, R [1 ]
Cheng, YH [1 ]
Liu, L [1 ]
Li, XS [1 ]
Guo, QX [1 ]
机构：
[1] Univ Sci & Technol China, Dept Chem, Hefei 230026, Peoples R China
来源：
RESEARCH ON CHEMICAL INTERMEDIATES | 2002年 / 28卷 / 01期
关键词：
cation-pi interaction; sigma complex; pi complex; ab initio;
D O I：
10.1163/156856702760129492
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
MP2/6-31+G* calculations were performed on the cation-pi complexes of ethylene, cyclobutadiene and benzene with a number of atomic cations. It was found that except B+ all the atomic cations form;pi-type cation-pi complexes with ethylene. On the other hand, with cyclobutadiene Li+, N+, Na+, P+ and K+ form pi-type complexes, whereas H+, F+, and Cl+ form covalent sigma-type complexes. With benzene Li+, B+, Na+, Al+, and K+ form pi-type complexes whereas H+, F+, and Cl+ form sigma-type complexes. It was concluded that the driving force to form the sigma-type complex is chemical bonding, and that for metal cations to form pi-type complexes is non-covalent interaction.
引用
收藏
页码：41 / 48
页数：8
相关论文
共 50 条
  • [41] The effect of cation-π interactions on the stability and electronic properties of anticancer drug Altretamine: a theoretical study
    Alirezapour, Fahimeh
    Khanmohammadi, Azadeh
    ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2020, 76 : 982 - 991
  • [42] Uniform, Anticorrosive, and Antiabrasive Coatings on Metallic Surfaces for Cation-Metal and Cation-π Interactions
    Liu, Xing
    Sheng, Shiqi
    Yang, Haijun
    He, Zhenglin
    Yang, Yizhou
    Sheng, Nan
    Fang, Haiping
    Shi, Guosheng
    ACS APPLIED MATERIALS & INTERFACES, 2020, 12 (34) : 38638 - 38646
  • [43] Contribution to cation-π interaction of the univalent silver cation with racemic [7]helicene in the solid state
    Klepetarova, Blanka
    Makrlik, Emanuel
    Vanura, Petr
    Storch, Jan
    STRUCTURAL CHEMISTRY, 2017, 28 (03) : 873 - 877
  • [44] Interplay between σ Holes, Anion•••H-C, and Cation-π Interactions in Dibromo[2,2]paracyclophane Complexes
    Muya, Jules Tshishimbi
    Isamura, Bienfait Kabuyaya
    Issofa, Patouossa
    Minh Tho Nguyen
    JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 124 (22) : 4379 - 4389
  • [45] Supramolecular Cation-π Interaction Enhances Molecular Solar Thermal Fuel
    Song, Tianfu
    Lei, Huanyu
    Cai, Feng
    Kang, Yu
    Yu, Haifeng
    Zhang, Liqun
    ACS APPLIED MATERIALS & INTERFACES, 2022, 14 (01) : 1940 - 1949
  • [46] Integration of Cation-π Interactions with Polyphenols for Super-Hydrophilic Coatings
    Zhang, Peiyu
    Geng, Huimin
    Gao, Zhiliang
    Hao, Jingcheng
    Cui, Jiwei
    ADVANCED MATERIALS INTERFACES, 2022, 9 (28):
  • [47] Conformation-control and stereoselective reactions using cation-π interactions
    Yamada, S
    JOURNAL OF SYNTHETIC ORGANIC CHEMISTRY JAPAN, 2005, 63 (04) : 339 - 350
  • [48] Novel cation-π interaction revealed by crystal structure of thermoalkalophilic lipase
    Matsumura, Hiroyoshi
    Yamamoto, Takahiko
    Leow, Thean Chor
    Mori, Tadashi
    Salleh, Abu Bakar
    Basri, Mahiran
    Inoue, Tsuyoshi
    Kai, Yasushi
    Rahman, Raja Noor Zaliha Raja Abd
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2008, 70 (02) : 592 - 598
  • [49] Effect of cation-π interaction on lithium and halogen bonds: a comparative study
    Esrafili, Mehdi D.
    Mohammadirad, Nafiseh
    MOLECULAR PHYSICS, 2015, 113 (07) : 711 - 718
  • [50] Energetics of a hydrogen bond (charged and neutral) and of a cation-π interaction in apoflavodoxin
    Fernández-Recio, J
    Romero, A
    Sancho, J
    JOURNAL OF MOLECULAR BIOLOGY, 1999, 290 (01) : 319 - 330
12345