The Effect of Hydration on the Cation-π Interaction Between Benzene and Various Cations

被引：9
|
作者：
Dhindhwal, Vikash [1 ]
Sathyamurthy, N. [1 ,2 ]
机构：
[1] Indian Inst Sci Educ & Res Mohali, Dept Chem, Sas Nagar Manauli 140306, Punjab, India
[2] Indian Inst Technol Kanpur, Dept Chem, Kanpur 208016, Uttar Pradesh, India
来源：
JOURNAL OF CHEMICAL SCIENCES | 2016年 / 128卷 / 10期
关键词：
Cation-pi interaction; pi-thickness; non-covalent interaction; hydration; alkali and alkaline earth metal cations; benzene; NONCOVALENT INTERACTIONS; BIOLOGICAL RECOGNITION; AROMATIC RINGS; BINDING; COMPLEXES; MOLECULES; BRIDGES; BORDERS; IONS;
D O I：
10.1007/s12039-016-1164-3
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The effect of hydration on cation-pi interaction in M (q+) B (m) W (n) (B= benzene; W= water; M (q+)= Na+, K+, Mg2+, Ca2+, Al3+, 0 aecurrency sign n,m aecurrency sign 4,1 aecurrency sign m + n aecurrency sign 4) complexes has been investigated using ab initio quantum chemical methods. Interaction energy values computed at the MP2 level of theory using the 6-31G(d,p) basis set reveal a qualitative trend in the relative affinity of different cations for benzene and water in these complexes. The pi-cloud thickness values for benzene have also been estimated for these systems.
引用
收藏
页码：1597 / 1606
页数：10
相关论文
共 50 条
  • [1] The Effect of Hydration on the Cation-π Interaction Between Benzene and Various Cations
    VIKASH DHINDHWAL
    N SATHYAMURTHY
    Journal of Chemical Sciences, 2016, 128 : 1597 - 1606
  • [2] Counterion effects on the cation-π interaction between alkaline earth cations and benzene
    Cheng, YH
    Liu, L
    Fu, Y
    Chen, R
    Li, XS
    Guo, QX
    JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (46): : 11215 - 11220
  • [3] Computational study of the interaction between sumanene and cations in function of the cation-π separation.
    Carrazana-Garcia, Jorge A.
    Cabaleiro-Lago, Enrique M.
    Rodriguez-Otero, Jesus
    20TH INTERNATIONAL ELECTRONIC CONFERENCE ON SYNTHETIC ORGANIC CHEMISTRY (ECSOC), 2016,
  • [4] Advanced hydrogen adsorption on benzene: Cation-? interaction effects
    Petrushenko, I. K.
    Petrushenko, K. B.
    CHEMICAL PHYSICS, 2022, 562
  • [5] Competitive cation-π interactions between small cations and polycations with phenyl groups in poly(cation-π) hydrogels
    Fan, Hailong
    Guo, Honglei
    Wang, Jiahui
    Gong, Jian Ping
    GIANT, 2020, 1
  • [6] Ab initio molecular orbital study of cation-π binding between the alkali-metal cations and benzene
    Nicholas, JB
    Hay, BP
    Dixon, DA
    JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (10): : 1394 - 1400
  • [7] Cation-Π interaction
    Ma, Jennifer C.
    Dougherty, Dennis A.
    Chemical Reviews, 1997, 97 (05):
  • [8] The Cation-π Interaction
    Dougherty, Dennis A.
    ACCOUNTS OF CHEMICAL RESEARCH, 2013, 46 (04) : 885 - 893
  • [9] A Photoprotective Effect by Cation-π-Interaction? Quenching of Singlet Oxygen by an Indole Cation-π Model System
    Arevalo, Gary E.
    Cagan, David A.
    Monsour, Charlotte G.
    Garcia, Arman C.
    McCurdy, Alison
    Selke, Matthias
    PHOTOCHEMISTRY AND PHOTOBIOLOGY, 2020, 96 (06) : 1200 - 1207
  • [10] The effect of ring annelation to benzene on cation-π interactions: DFT study
    Dinadayalane, T. C.
    Hassan, Ayorinde
    Leszczynski, Jerzy
    JOURNAL OF MOLECULAR STRUCTURE, 2010, 976 (1-3) : 320 - 323
12345