Mononuclear High-spin Octahedral Cobalt(II) Complex with Positive Axial Magnetic Anisotropy: Synthesis,Crystal Structure,and DFT Studies |
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Authors: | Mohd Muddassir Abdullah Alarifi Mohd Afzal Ahmad Alowais Naaser A Y Abduh |
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Affiliation: | Catalytic Chemistry Research Chair, Department of Chemistry, King Saud University, 11451 Riyadh, Saudi Arabia |
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Abstract: | This article outlines the magnetic features of a new six–coordinate high-spin cobalt(II) complex cis-CoII(tmphen)2(NCS)2] ( 1 ) achieved via the reactions of cobalt(II) thiocyanate with 3,4,7,8-tetramethyl-1,10-phenanthroline. The complex 1 was thoroughly characterized by different analytical and spectroscopic techniques and further confirmed by single X-ray crystal diffraction pattern. Complex 1 is a neutral molecule and adopt highly distorted six-coordinate CoN6 octahedral coordination sphere surrounded by two thiocyanate N atoms in cis locations and the equatorial plane is occupied by two imine N atoms from the two tmphen ligand while the remaining two imine N atoms reside in the axial positions. Magnetic susceptibility data of complex 1 revealed that the χΜT values decrease significantly to a value of 1.49 cm3 · K · mol–1 at 2.0 K on decreasing temperatures below 100 K, mainly ascribed to the significant spin–orbit coupling (SOC) of six-coordinate CoII ions. Furthermore, a field-dependence measurement was performed at 2 K, which shows a positive curvature up to 27 kOe, while it becomes linear up to 2.01 NμB, which authenticated the fact that only the lowest Kramers doublet of ground state is appreciably populated. |
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Keywords: | Cobalt(II) high-spin complex Cobalt X-ray diffraction Hydrogen bonding Magnetic anisotropy |
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