Cooperative and Diminutive Effects of Pnicogen Bonds and Cation-π Interactions

被引：40
|
作者：
Li, Qingzhong [1 ,2 ]
Zhuo, Hongying [1 ,2 ]
Yang, Xin [1 ,2 ]
Cheng, Jianbo [1 ,2 ]
Li, Wenzuo [1 ,2 ]
Loffredo, Robert E. [3 ]
机构：
[1] Yantai Univ, Lab Theoret & Computat Chem, Yantai 264005, Peoples R China
[2] Yantai Univ, Sch Chem & Chem Engn, Yantai 264005, Peoples R China
[3] Truett McConnell Coll, Dept Chem, Cleveland, GA 30528 USA
来源：
CHEMPHYSCHEM | 2014年 / 15卷 / 03期
基金：
中国国家自然科学基金;
关键词：
ab initio calculations; cations; cooperative effects; noncovalent interactions; pnicogen bonds; CENTER-DOT-N; HYDROGEN-BONDS; ANION-PI; HALOGEN BONDS; AB-INITIO; CH3; CN; CL; DIHYDROGEN; COMPLEXES;
D O I：
10.1002/cphc.201300965
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The interplay between pnicogen bonds and cation- interactions has been investigated at the MP2/aug-cc-pVDZ level. Interesting cooperative and diminutive effects are observed when pnicogen bonds and cation- interactions coexist in the same complex. These effects have been analyzed in terms of the structural, energetic, and charge-transfer properties of the complexes. The variations in electron density at critical points of the intermolecular bond have been used to analyze bond strengthening or weakening. The nature of the interactions and the mechanisms of cooperative and diminutive effects have been studied by means of symmetry-adapted perturbation theory and molecular electrostatic potentials.
引用
收藏
页码：500 / 506
页数：7
相关论文
共 50 条
  • [41] CATION-π INTERACTIONS Mimicking mussel mechanics
    Birkedal, Henrik
    NATURE CHEMISTRY, 2017, 9 (05) : 408 - 409
  • [42] Environmental modulation of protein cation-π interactions
    Berry, Bruce W.
    Elvekrog, Margaret M.
    Tommos, Cecilia
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2007, 129 (17) : 5308 - +
  • [43] Do cation-π interactions exist in bacteriorhodopsin?
    Hu, KS
    Wang, GY
    He, JA
    CHINESE PHYSICS LETTERS, 2001, 18 (02) : 298 - 300
  • [44] Cation-π interactions in ligand recognition and catalysis
    Zacharias, N
    Dougherty, DA
    TRENDS IN PHARMACOLOGICAL SCIENCES, 2002, 23 (06) : 281 - 287
  • [45] On the cooperativity of cation-π and hydrogen bonding interactions
    Vijay, Dolly
    Zipse, Hendrik
    Sastry, G. Narahari
    JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (30): : 8863 - 8867
  • [46] Contribution of cation-π interactions to protein stability
    Prajapati, Ravindra S.
    Sirajuddin, Minhajuddin
    Durani, Venuka
    Sreeramulu, Sridhar
    Varadarajan, Raghavan
    BIOCHEMISTRY, 2006, 45 (50) : 15000 - 15010
  • [47] The Cation-π Interactions in a Potassium Alkylideneborane Complex
    Cui, Ping
    Gao, Hao
    Wang, Yu
    Tung, Chen-Ho
    Kong, Lingbing
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2022, 2022 (30)
  • [48] Tuning underwater adhesion with cation-φ interactions
    Gebbie M.A.
    Wei W.
    Schrader A.M.
    Cristiani T.R.
    Dobbs H.A.
    Idso M.
    Chmelka B.F.
    Herbert Waite J.
    Israelachvili J.N.
    Nature Chemistry, 2017, 9 (5) : 473 - 479
  • [49] Counterion effects on the cation-π interactions between alkaline earth cations and pyrrole
    Shi, FQ
    An, JY
    Yu, HY
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 716 (1-3): : 131 - 136
  • [50] Geometric Effects in Olefinic Cation-π Interactions with Alkali Metals: A Computational Study
    Engerer, Laura K.
    Hanusa, Timothy P.
    JOURNAL OF ORGANIC CHEMISTRY, 2011, 76 (01): : 42 - 49
12345