Jump to main content
Jump to site search

Issue 14, 2014
Previous Article Next Article

Effect of robust π–π stacking synthon on the formation of mercury coordination compounds; an unusual pseudo-square planar geometry

Author affiliations

Abstract

In this study, three Hg(II) complexes, [HgCl2(L2-naph)]n, 1, [HgBr2(L2-naph)]n, 2 and [HgI2(L2-naph)2], 3 where L2-naph is N-(naphthalene-2-yl)pyrazine-2-carboxamide ligand have been synthesized and characterized. X-ray single crystal diffraction analysis of these compounds reveals that 1 and 2 are isostructural coordination polymers and 3 is a discrete compound. In comparison to homologue complexes containing N-(naphthalene-1-yl)pyrazine-2-carboxamide ligand, interestingly, structural analysis clearly shows that displacing substituent position plays an important role in the formation of the supramolecular organization of molecular complexes. The common feature in the crystal packing of these complexes is that there is a strong tendency to form π–π stacking interaction between pyrazine and naphthalene rings. These π–π stacking interaction synthons affect the coordination geometry and structural assembly. Also, theoretical methods show the π–π stacking interaction energies within a range of −64.13 to −70.51 kJ mol−1. It is notable that in 3, cooperation of intermolecular π–π stacking synthon and intramolecular C–Hpyz⋯I–Hg hydrogen bond resulted in the formation of unusual pseudo-square planar geometry around the Hg(II) center. This study reveals an undeniable contribution of π–π stacking interaction to the organization and stabilization of some of the crystal structures reported here.

Graphical abstract: Effect of robust π–π stacking synthon on the formation of mercury coordination compounds; an unusual pseudo-square planar geometry

Back to tab navigation
Please wait while Download options loads

Supplementary files

Publication details

The article was received on 14 Nov 2013, accepted on 06 Jan 2014 and first published on 08 Jan 2014


Article type: Paper
DOI: 10.1039/C3DT53220H
Citation: Dalton Trans., 2014,43, 5564-5573
  •   Request permissions

    Effect of robust π–π stacking synthon on the formation of mercury coordination compounds; an unusual pseudo-square planar geometry

    H. R. Khavasi and B. Mir Mohammad Sadegh, Dalton Trans., 2014, 43, 5564
    DOI: 10.1039/C3DT53220H

Search articles by author