Title : ( Supramolecular network of a framework material supported by the anion–π linkage of Keggin-type heteropolyoxotungstates: Experimental and theoretical insights )
Authors: maryam samaniyan , Rosa M. Gomila , Masoud Mirzaei Shahrabi , Hossein Eshtiagh Hosseini , Nahid Lotfian , Joel T. Mague , Ali Nakhaei Pour , Antonio Frontera ,
دانلود فایل برای اعضای دانشگاهAccess to full-text not allowed by authors
Abstract
A novel inorganic–organic hybrid, {Na[Tb(L)(H2O)4]3(SiW12O40)}·4H2O, in which L = 4-hydroxypyridine-2,6-dicarboxylic acid (chelidamic acid), was prepared and characterized by elemental analyses, Fourier transform infrared spectroscopy, and single-crystal X-ray diffraction. It consists of a trinuclear terbium cluster bonded to a Keggin-type polyoxotungstate. In the terbium cluster three crystallographically equivalent Tb3+ ions are bridged by carboxylate oxygen atoms belonging to three chelidamic acid units to form an equilateral triangle. These triangle units connect to each other through hydrogen–bonding and anion–π interactions. A CSD survey was carried out focusing on the cation and the ligand roles in the structure formation of this type of compounds. Finally, DFT calculations were used to analyse the role of the anion–π interactions that are important in the formation of 1D supramolecular assemblies in the solid state. The noncovalent interaction plot (NCIplot) computational tool has been used to characterize the anion–π interaction.
Keywords
, Polyoxometalate, based frameworks; Supramolecular network; Anion–π linkage; Keggin; Terbium; Chelidamic acid. Experimental and theoretical insights
@article{paperid:1082730,
author = {Samaniyan, Maryam and Rosa M. Gomila and Mirzaei Shahrabi, Masoud and Eshtiagh Hosseini, Hossein and Lotfian, Nahid and Joel T. Mague and Nakhaei Pour, Ali and Antonio Frontera},
title = {Supramolecular network of a framework material supported by the anion–π linkage of Keggin-type heteropolyoxotungstates: Experimental and theoretical insights},
journal = {Dalton Transactions},
year = {2021},
volume = {50},
number = {4},
month = {January},
issn = {1477-9226},
pages = {1--11},
numpages = {10},
keywords = {Polyoxometalate-based frameworks; Supramolecular network; Anion–π linkage; Keggin; Terbium; Chelidamic acid.
Experimental and theoretical insights},
}
%0 Journal Article
%T Supramolecular network of a framework material supported by the anion–π linkage of Keggin-type heteropolyoxotungstates: Experimental and theoretical insights
%A Samaniyan, Maryam
%A Rosa M. Gomila
%A Mirzaei Shahrabi, Masoud
%A Eshtiagh Hosseini, Hossein
%A Lotfian, Nahid
%A Joel T. Mague
%A Nakhaei Pour, Ali
%A Antonio Frontera
%J Dalton Transactions
%@ 1477-9226
%D 2021
