Formation of a water-mediated assembly of two neutral copper(II) Schiff base fragments with a Cu2(NCS)4 moiety: exploration of non-covalent C-H•••π(bimetallo ring) interactions

被引：29

作者：

Roy, Sourav ^{[1
]}

Drew, Michael G. B. ^{[2
]}

Bauza, Antonio ^{[3
]}

Frontera, Antonio ^{[3
]}

Chattopadhyay, Shouvik ^{[1
]}

机构：

[1] Jadavpur Univ, Inorgan Sect, Dept Chem, Kolkata 700032, India

[2] Univ Reading, Sch Chem, POB 224, Reading RG6 6AD, Berks, England

[3] Univ Illes Balears, Dept Quim, Crta Valldemossa Km 7-5, Palma De Mallorca 07122, Baleares, Spain

来源：

CRYSTENGCOMM | 2018年 / 20卷 / 12期

关键词：

MANGANESE SALEN COMPLEXES; TRIGONAL DODECAHEDRAL NA+; MN-II COMPLEXES; STRUCTURAL-CHARACTERIZATION; MAGNETIC-PROPERTIES; CRYSTAL-STRUCTURES; NICKEL(II)-CADMIUM(II) COMPLEXES; COORDINATION POLYMERS; METAL-COMPLEXES; UNIQUE EXAMPLE;

D O I：

10.1039/c7ce01473b

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A water molecule is encapsulated in a dimeric assembly of a copper(II) Schiff base complex with a Cu-2(NCS)(4) moiety. The structure has been confirmed by single crystal X-ray diffraction analysis. Thermogravimetric analysis has been performed to check the stability of the enclathrated water molecule. This theoretical study is devoted to analyzing the stabilization of the H2O molecule in the cavity generated by the formation of the supramolecular dimer of the copper(II) Schiff base moiety in the solid state. The Cu-2(NCS)(4) moiety exists as a bimetallic eight-membered ring, which behaves as a p-system establishing C-H center dot center dot center dot pi interactions with two neighbouring copper(II) Schiff base moieties. The molecular electrostatic potential (MEP) surface of the complex has been computed to rationalize the interaction from an electrostatic point of view.

引用

页码：1679 / 1689

页数：11

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