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：5
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
收藏
页码：165 / 171
页数：7
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