A binuclear Cd(II) complex containing bridging pyrimidine-based ligands
Author:
Hosseini Samireh1, Mardani Zahra1, Moeini Keyvan2, Carpenter-Warren Cameron3, Slawin Alexandra M.Z.3, Woollins J. Derek34
Affiliation:
1. Inorganic Chemistry Department, Faculty of Chemistry , Urmia University , 57561-51818 Urmia , Islamic Republic of Iran 2. Chemistry Department , Payame Noor University , 19395-4697 Tehran , Islamic Republic of Iran 3. EaStCHEM School of Chemistry , University of St Andrews , St Andrews , Fife KY16 9ST , United Kingdom 4. Khalifa University , P.O. Box 127788 , Abu Dhabi , United Arab Emirates
Abstract
Abstract
In this work, a pyrimidine-based ligand, N′-(amino(pyrimidin-2-yl)methylene)pyrimidine-2-carbohydrazonamide hydrate (APPH · H2O), and its binuclear complex of cadmium, [Cd(μ-APPH)Br]2, 1, were prepared and identified by elemental analysis, FT-IR, 1H NMR spectroscopy as well as single-crystal X-ray diffraction. X-ray structure analysis of 1 revealed octahedrally coordinated cadmium centers with a CdN4Br2 environment containing two bridging APPH ligands; each APPH ligand acts as an N4-donor (N2-donor toward each cadmium atom) and forms two five-membered chelate rings that are approximately perpendicular to each other. In the network of 1, the N–H · · · Br hydrogen bonds form motifs such as
R
2
2
(
12
,
14
)
,
R
6
6
(
24
,
26
,
…
,
46
)
.
${\rm{R}}_{\rm{2}}^{\rm{2}}(12,{\rm{ }}14),{\rm{ R}}_{\rm{6}}^{\rm{6}}(24,{\rm{ }}26,{\rm{ }} \ldots ,{\rm{ }}46).$
The crystal network is further stabilized by π-π stacking interactions between pyrimidine rings. The optimized structures of the ligand and complex were investigated along with their charge distribution patterns by density functional theory and natural bond orbital analysis, respectively.
Publisher
Walter de Gruyter GmbH
Subject
General Chemistry
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