Jump to main content
Jump to site search

Issue 14, 2015
Previous Article Next Article

Cadmium(ii) complexes containing N,N′-dimethylviolurate as ligand or counteranion: synthesis, characterization, crystal structures and DFT study

Author affiliations

Abstract

N,N′-dimethylvioluric acid mono hydrate (HDMV) (1·H2O) and two cadmium(II) complexes with N-donor ligands of formula [Cd(DMV)2(benzim)2]·2H2O (2) (benzim = benzimidazole) and [Cd(H2O)4(py)2](DMV)2 (3) (py = pyridine) have been synthesized. Free N,N′-dimethyl violuric acid mono hydrate (HDMV) and the complexes have been fully characterized by elemental analysis, IR, 1H and 13C NMR spectral methods, fluorescence spectroscopy, TGA and structural X-ray crystallography. HDMV (1·H2O) which remains in keto-oxime form in the solid state transforms to the nitroso-enolato form in the complexes [(2) and (3)]. A typical R12(6) motif with a bifurcating hydrogen bond is observed in all three structures. Dimethylviolurate anion acts as a bidentate ligand in (2), whereas in (3) it is present as a counter-ion, outside the coordination sphere. In addition, DFT-D3 calculations have been performed to study interesting noncovalent interactions observed in the solid states of (1) and (2) with special interest in the lone pair (lp)–π interactions and their interplay with π–π interactions.

Graphical abstract: Cadmium(ii) complexes containing N,N′-dimethylviolurate as ligand or counteranion: synthesis, characterization, crystal structures and DFT study

Back to tab navigation

Supplementary files

Article information


Submitted
11 Sep 2014
Accepted
06 Jan 2015
First published
06 Jan 2015

RSC Adv., 2015,5, 10826-10836
Article type
Paper
Author version available

Cadmium(II) complexes containing N,N′-dimethylviolurate as ligand or counteranion: synthesis, characterization, crystal structures and DFT study

R. Banik, S. Roy, A. Bauza, A. Frontera and S. Das, RSC Adv., 2015, 5, 10826
DOI: 10.1039/C4RA10251G

Social activity

Search articles by author

Spotlight

Advertisements