Do Cation•••p Interactions Always Need to be 1:1?

被引：38

作者：

Abraham, Sharon Achamma ^{[1
]}

Jose, Deepthi ^{[1
]}

Datta, Ayan ^{[1
]}

机构：

[1] Indian Inst Sci Educ & Res Thiruvananthapuram, Sch Chem, Thiruvananthapuram 695016, Kerala, India

来源：

CHEMPHYSCHEM | 2012年 / 13卷 / 03期

关键词：

cation-pi interactions; charge transfer; density functional theory; intermolecular forces; supramolecular chemistry; DENSITY FUNCTIONALS; THERMOCHEMICAL KINETICS; CHARGE-DENSITY; BENZENE; MOLECULES; CHEMISTRY; DIANION;

D O I：

10.1002/cphc.201100996

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 more the better: Calculations and crystal-structure analyses show that a single electron-rich aromatic ring can simultaneously bind to two cations on its top and bottom π surfaces (see picture). Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

收藏

页码：695 / 698

页数：4

相关论文

共 42 条

[11] THE 1ST TRIPLE-DECKER SANDWICH WITH A BRIDGING BENZENE-RING [J].

DUFF, AW ;

JONAS, K ;

GODDARD, R ;

KRAUS, HJ ;

KRUGER, C .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (16) :5479-5480

[12] On the directionality of anion-π interactions [J].

Estarellas, Carolina ;

Bauza, Antonio ;

Frontera, Antonio ;

Quinonero, David ;

Deya, Pere M. .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (13) :5696-5702

[13] NATURAL HYBRID ORBITALS [J].

FOSTER, JP ;

WEINHOLD, F .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (24) :7211-7218

[14]

Frisch M. J., 2016, Gaussian 03 Revision B.03

[15] Cation-π interactions in structural biology [J].

Gallivan, JP ;

Dougherty, DA .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1999, 96 (17) :9459-9464

[16]

Gopalan RS, 2000, CHEMPHYSCHEM, V1, P127, DOI 10.1002/1439-7641(20001103)1:3<127::AID-CPHC127>3.0.CO

[17]

2-1

[18] INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].

HARIHARA.PC ;

POPLE, JA .

THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222

[19] Organic conductors:: From charge density wave TTF-TCNQ to superconducting (TMTSF)2PF6 [J].

Jérome, D .

CHEMICAL REVIEWS, 2004, 104 (11) :5565-5591

[20] Nucleic Acid G-quartets: Insights into Diverse Patterns and Optical Properties [J].

Jissy, A. K. ;

Ashik, U. P. M. ;

Datta, Ayan .

JOURNAL OF PHYSICAL CHEMISTRY C, 2011, 115 (25) :12530-12546

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