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

A copper complex with square planar geometry, [(L)CuBr₂] ( ), (L = -(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 is...

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Veröffentlicht in:	Molecules (Basel, Switzerland) Switzerland), 2018-03, Vol.23 (3), p.701
Hauptverfasser:	Khanfar, Monther A, Jaber, Areej M, AlDamen, Murad A, Al-Qawasmeh, Raed A
Format:	Artikel
Sprache:	eng
Schlagworte:	2-furyl adamantanhydrazone Copper Copper bromide Copper compounds Crystal structure DFT Diffraction hydrazone complexes Hydrogen bonding Infrared analysis Ligands Mass spectrometry Mass spectroscopy Single crystals square planar copper(II) complex Structural analysis Unit cell X-ray diffraction
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Beschreibung
Zusammenfassung:	A copper complex with square planar geometry, [(L)CuBr₂] ( ), (L = -(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 is solved as monoclinic, space group P2₁/m with unit cell parameters: = 10.8030(8), = 6.6115(8), = 12.1264(12) Å, = 101.124(8)°, V = 849.84(15) Å³, Z = 2, and R₁ = 0.0751 with wR₂ = 0.1581 (I > 2 σ). The structure of 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.
ISSN:	1420-3049 1420-3049
DOI:	10.3390/molecules23030701