paper20142

Selective gas sorption and electrochemical properties of a dicyanamide

coordination polymer: Insight from experimental and theoretical study

Leila Tabrizi a, Hossein Chiniforoshan a,⇑, Patrick McArdle b, Hossein Tavakol a, Behzad Rezaei a,

Mohammad Mohammadi Dehcheshmeh a

a Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111, Iran

b School of Chemistry, National University of Ireland Galway, University Road, Galway, Ireland

Polyhedron 69 (2014) 84–89

Abstract

We report the gas sorption ability of [Cd(l-hmt)(l-dca)2]n (1) (hmt = hexamethylenetetramine,

dca = dicyanamide), a coordination polymer with 2D rectangular grid structure known as the porous

non-porous materials, for CO2, CH4, and N2 under different temperatures (295 K, 195 K). It was observed

that polymer adsorbs CO2 and CH4, but not N2 even at low temperature. Also, since electron transfer

behavior of 1 has an important role on gas adsorption, electrochemical properties of polymer and its

metal (cadmium) in absence and presence of hmt, are studied by cyclic voltammetry. In addition, thermal

stability of 1 is investigated by thermogravimetric (TGA) analysis. To gain a deeper insight into the

observed gas uptake of mentioned polymer, theoretical calculations have been used to study intermolecular

interactions and characterize the bonding of gas sorption.

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