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] (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...

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Bibliographic Details
Main Authors: Monther A. Khanfar, Areej M. Jaber, Murad A. AlDamen, Raed A. Al-Qawasmeh
Format: Article
Language:English
Published: MDPI AG 2018-03-01
Series:Molecules
Subjects:
Online Access:http://www.mdpi.com/1420-3049/23/3/701
Description
Summary: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.
ISSN:1420-3049