Please use this identifier to cite or link to this item:
https://open.uns.ac.rs/handle/123456789/11203
Title: | Structural, spectroscopic and computational studies of the HgL <inf>2</inf>Cl<inf>2</inf> complex (L = 3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L | Authors: | Kovács A. Nemcsok D. Pokol G. Mesaroš-Sečenji (Mészáros Szécsényi), Katalin Leovac V. Jaćimović Z. Evans I. Howard J. Tomić Z. Giester G. |
Issue Date: | 1-Jan-2005 | Journal: | New Journal of Chemistry | Abstract: | In the present paper we report the synthesis as well as the structural and vibrational characterisation of the HgL2Cl2 complex (L = 3,5-dimethyl-1-thiocarboxamide). The crystal and molecular structures of both L and the HgL2Cl2 complex were determined by single-crystal X-ray diffraction. The coordination propensity of L to HgCl2 was explored by quantum chemical calculations. We found the preference of the monodentate coordination of L to HgCl2 through the sulfur atom (instead of the "pyridine" nitrogen) to be in agreement with Pearson's acid-base character of the atoms involved and the steric effects. The vibrational properties of HgL2Cl2 were evaluated by a joint FT-IR and quantum chemical analysis. In addition, the thermal decomposition of the complex and ligand is reported. © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2005. | URI: | https://open.uns.ac.rs/handle/123456789/11203 | ISSN: | 11440546 | DOI: | 10.1039/b416816j |
Appears in Collections: | PMF Publikacije/Publications |
Show full item record
SCOPUSTM
Citations
29
checked on May 10, 2024
Page view(s)
28
Last Week
6
6
Last month
0
0
checked on May 10, 2024
Google ScholarTM
Check
Altmetric
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.