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Open AccessArticle

Synthesis, Characterization, Crystal Structure, and DFT Study of a New Square Planar Cu(II) Complex Containing Bulky Adamantane Ligand

Department of Chemistry, Faculty of Science, the University of Jordan, Amman 11942, Jordan
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Author to whom correspondence should be addressed.
Molecules 2018, 23(3), 701; https://doi.org/10.3390/molecules23030701
Received: 26 February 2018 / Revised: 9 March 2018 / Accepted: 13 March 2018 / Published: 20 March 2018
(This article belongs to the Special Issue Metal Complexes of Biological Ligands)
A copper complex with square planar geometry, [(L)CuBr2] (1), (L = N′-(furan-2-ylmethylene)adamantne-1-carbohydrazide) has been synthesized and characterized by Fourier transfer infrared (FTIR) spectroscopy, elemental analysis, mass spectrometry, and single crystal X-ray diffraction. The crystal of 1 is solved as monoclinic, space group P21/m with unit cell parameters: a = 10.8030(8), b = 6.6115(8), c = 12.1264(12) Å, β = 101.124(8)°, V = 849.84(15) Å3, Z = 2, and R1 = 0.0751 with wR2 = 0.1581 (I > 2 σ). The structure of 1 shows intramolecular hydrogen bonding between the N–H and the furan oxygen which stabilizes the configuration of the complex. Furthermore, inside the lattice there are other weak interactions between bromo ligands and the ligand L. DFT calculations where performed to study the stability of this geometry. View Full-Text
Keywords: 2-furyl adamantanhydrazone; hydrazone complexes; square planar copper(II) complex; DFT 2-furyl adamantanhydrazone; hydrazone complexes; square planar copper(II) complex; DFT
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Khanfar, M.A.; Jaber, A.M.; AlDamen, M.A.; Al-Qawasmeh, R.A. Synthesis, Characterization, Crystal Structure, and DFT Study of a New Square Planar Cu(II) Complex Containing Bulky Adamantane Ligand. Molecules 2018, 23, 701.

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