Abstract
New Hg(II) complexes with 5-methyl-5-(4-pyridyl)-2,4-imidazolidenedione
(L) and various halogen ions were synthesized. Based on elemental
analysis and flame atomic absorption spectroscopy, complexes have
general formula HgL2X2 (X = Cl- (1), Br- (2), and I- (3)). These
compounds have been studied by IR, H-1 and C-13 NMR spectroscopy at room
temperature. According to X-ray diffraction analysis, complex 2
crystallizes in monoclinic system. Hg(II) ion has been surrounded by a
distorted tetrahedral arrangement of two monodentate ligands (each one
coordinating by a N-pyridine (ring) atom) and two bromine atoms. Based
on crystal packing findings, intermolecular classical H-bonds of the
type N-H center dot center dot center dot O and non-classical H-bonds of
the type C-H center dot center dot center dot O and C-H center dot
center dot center dot Br, as an important member of noncovalent
interaction family, are driving forces for the formation of a very
distorted structure. Theoretical studies showed that neither the size of
the halide anion nor the intramolecular interactions between two ligands
are the reason for the very small N-Hg-N bond angle, observed in complex
2. (C) 2013 Elsevier B.V. All rights reserved.
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