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A binuclear Cd(II) complex containing bridging pyrimidine-based ligands

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Hosseini_2020_ZNB_Binuclear_FinalPubVersion.pdf (609.0Kb)
Date
25/02/2020
Author
Hosseini, Samireh
Mardani, Zahra
Moeini, Keyvan
Carpenter-Warren, Cameron
Slawin, Alexandra M.Z.
Woollins, J. Derek
Keywords
Binuclear
Bromide
Cadmium(II) complex
DFT
Pyrimidine
QD Chemistry
Chemistry(all)
DAS
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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 R22(12, 14), R66(24, 26, …, 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.
Citation
Hosseini , S , Mardani , Z , Moeini , K , Carpenter-Warren , C , Slawin , A M Z & Woollins , J D 2020 , ' A binuclear Cd(II) complex containing bridging pyrimidine-based ligands ' , Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences , vol. 75 , no. 3 , 6 , pp. 287-293 . https://doi.org/10.1515/znb-2019-0193
Publication
Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences
Status
Peer reviewed
DOI
https://doi.org/10.1515/znb-2019-0193
ISSN
0932-0776
Type
Journal article
Rights
Copyright ©2020 Walter de Gruyter GmbH, Berlin/Boston. This work has been made available online in accordance with publisher policies or with permission. Permission for further reuse of this content should be sought from the publisher or the rights holder. This is the final published version of the work, which was originally published at https://doi.org/10.1515/znb-2019-0193
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  • University of St Andrews Research
URI
http://hdl.handle.net/10023/21371

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