Experimental and theoretical study on cation-π interaction of the univalent silver cation with pyrene in the gas phase and in the solid state

被引：4

作者：

Klepetarova, Blanka ^{[1
]}

Kvicalova, Magdalena ^{[1
]}

Sykora, David ^{[2
]}

Makrlik, Emanuel ^{[1
]}

Vanura, Petr ^{[2
]}

机构：

[1] Czech Univ Life Sci, Fac Environm Sci, Kamycka 129, Prague 16521 6, Suchdol, Czech Republic

[2] Univ Chem & Technol, Tech 5, Prague 16628 6, Czech Republic

来源：

INORGANICA CHIMICA ACTA | 2018年 / 477卷

关键词：

Univalent silver cation; Pyrene; Cation-pi interaction; DFT calculations; X-ray crystallography; ION-AROMATIC COMPLEXES; METAL-ION; MOLECULAR-STRUCTURE; CRYSTAL-STRUCTURE; BENZENE COMPLEX; PERCHLORATE; SYSTEMS; CONSTRUCTION; ENERGIES; BINDING;

D O I：

10.1016/j.ica.2018.03.029

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

By means of electrospray ionization mass spectrometry (ESI-MS), it was evidenced experimentally that the univalent silver cation (Ag+) reacts with the electroneutral pyrene ligand (C16H10) to form especially the cationic complexes [Ag(C16H10)](+) and [Ag(C16H10)(2)](+). Moreover, applying quantum chemical calculations, five different conformations of these two Ag(I) complexes were derived. Finally, in the solid state, the polymeric complex structure [Ag(pyrene)(0.5)(CF3SO3)](n)center dot[Ag(toluene)(CF3SO3)](n), crystallizing in the monoclinic system with the centrosymmetric space group P2/c, was prepared and analyzed by X-ray crystallography. (C) 2018 Elsevier B.V. All rights reserved.

引用

页码：165 / 171

页数：7

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