Issue 46, 2021

Experimental and theoretical studies of a pyridylvinyl(benzoate) based coordination polymer structure

Abstract

The electronic, adsorption and structural properties of a layered coordination polymer (CP), {[Cu(3,4-pvb)2x(dmf)·y(H2O)}n (x = 4; y = 0 or x = 3.5; y = 1), formed by the coordination of {3-[2-(4-pyridyl)vinyl]}benzoate (3,4-pvb) to copper(II), were studied both experimentally and computationally. Most of the CP structure is held together due to a non-covalent interaction of π-stacking resemblance, which together with the metal coordination arranged itself as a two-dimensional framework with large diamond shape channels that extends in a corrugated fashion. The stacking of the corrugated layers leads to a three-dimensional supramolecular structure with an estimated surface area of 26.5 m2 g−1 and large rhombus pores with a volume of about 0.09 cm3 g−1. Each rhombus pore is filled with a supramolecular chain of dmf molecules extending along the crystallographic a-axis. The results indicated that the 3,4-pvb ligand, along with the solvent induced template effect, leads to a distinct structural topology compared to other pyridylvinyl(benzoate) based CPs.

Graphical abstract: Experimental and theoretical studies of a pyridylvinyl(benzoate) based coordination polymer structure

Supplementary files

Article information

Article type
Paper
Submitted
25 Ndz 2021
Accepted
18 Nhl 2021
First published
18 Nhl 2021

CrystEngComm, 2021,23, 8139-8149

Experimental and theoretical studies of a pyridylvinyl(benzoate) based coordination polymer structure

Y. Dezotti, M. V. F. Barrionuevo, I. F. Silva, M. A. Ribeiro, R. Añez, H. O. Stumpf, M. A. San-Miguel and W. P. Barros, CrystEngComm, 2021, 23, 8139 DOI: 10.1039/D1CE01290H

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