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

页码：165 / 171

页数：7

共 50 条

[41] A theoretical study of complexes formed between cations and curved aromatic systems: electrostatics does not always control cation-π interaction
Carrazana-Garcia, Jorge A.
Cabaleiro-Lago, Enrique M.
Rodriguez-Otero, Jesus
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 19 (16) : 10543 - 10553
[42] The effect of cation-π interactions on the stability and electronic properties of anticancer drug Altretamine: a theoretical study
Alirezapour, Fahimeh
Khanmohammadi, Azadeh
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2020, 76 : 982 - 991
[43] Extraction and DFT study on the complexation of the univalent silver cation with sodium ionophore III
Makrlik, Emanuel
Kvicala, Jaroslav
Vanura, Petr
MONATSHEFTE FUR CHEMIE, 2014, 145 (10): : 1539 - 1543
[44] Extraction and DFT study on the complexation of the univalent silver cation with sodium ionophore III
Emanuel Makrlík
Jaroslav Kvíčala
Petr Vaňura
Monatshefte für Chemie - Chemical Monthly, 2014, 145 : 1539 - 1543
[45] Experimental and theoretical study on the interaction of the pyridinium cation with a hexaarylbenzene-based receptor
Makrlik, Emanuel
Vanura, Petr
Rathore, Rajendra
MONATSHEFTE FUR CHEMIE, 2015, 146 (04): : 521 - 525
[46] Experimental and theoretical study on the interaction of the pyridinium cation with a hexaarylbenzene-based receptor
Emanuel Makrlík
Petr Vaňura
Rajendra Rathore
Monatshefte für Chemie - Chemical Monthly, 2015, 146 : 521 - 525
[47] Experimental and theoretical study on complexation of the ammonium cation with enniatin B
Makrlik, Emanuel
Boehm, Stanislav
Vanura, Petr
Trnka, Ladislav
JOURNAL OF MOLECULAR LIQUIDS, 2015, 204 : 264 - 267
[48] Theoretical studies on cation-π interactions (I) -: Density-functional theory investigation on the configurations and interaction for ammonium cation-benzene complex
Jiang, HL
Zhu, WL
Tan, XJ
Gu, JD
Chen, JZ
Lin, MW
Chen, KX
Ji, RY
SCIENCE IN CHINA SERIES B-CHEMISTRY, 1998, 41 (05): : 535 - 542
[49] Actinyl cation-cation interactions in the gas phase: an accurate thermochemical study
Feng, Rulin
Glendening, Eric D.
Peterson, Kirk A.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 21 (15) : 7953 - 7964
[50] Sum-Frequency Vibrational Spectroscopic Study of the Cation-π Interaction: Amine and Guanidine
Sam, Sokhuoy
Sung, Siheon
Krem, Sona
Park, Sohee
Hwang, Dong Soo
Kim, Doseok
JOURNAL OF PHYSICAL CHEMISTRY B, 2022, 126 (39) : 7621 - 7626

← 1 2 3 4 5 →