Synthesis, crystal structure, magnetic properties and DFT study of dinuclear Ni(II) complex with the condensation product of 2-quinolinecarboxaldehyde and Girard’s T reagent

Abstract

A dinuclear double end-on azido bridged Ni(II) complex [Ni 2 L 2 (μ-1,1 -N 3 ) 2 (N 3 ) 2 ] (1) with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium acetohydrazide chloride (Girard's T reagent) (HLCl) has been synthesized and characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction, magnetic measurements and DFT studies. In complex 1 intra-dimer ferromagnetic coupling between Ni 2+ ions (J = +12.0(2) cm -1 ) and inter-dimer antiferromagnetic interaction (δ = -0.8(3) cm -1 ) were observed. DFT-BS calculations provided explanation of ferromagnetic exchange coupling in complex 1.

Ni(II) Dimers of NNO Donor Tridentate Reduced Schiff Base Ligands as Alkali Metal Ion Capturing Agents: Syntheses, Crystal Structures and Magnetic Properties

“…However, we can see from the spin density table that there is nearly zero delocalization on Na and bridging Cl atom for all the complexes, and only the significant amount of spin density is showing on the bridging oxygen atoms from phenoxido bridge. Negligible overall spin population on the bridging chloride atoms is the result of partial α and β spin density overlap due to the spin polarization in broken symmetry state ( Figures S8-S10) [36][37][38]. Thus, it may be concluded that the ferromagnetic exchange interactions between two Ni II centers are dominated by phenoxido bridges for all the complexes [39].…”

Molecular Structures and Spin‐States of Pseudohalide Metal Complexes with Hydrazones of Girard's T Reagent

“…Among the DFT functionals used, the value of J parameter obtained with the B3LYP* functional is the closest to the experimentally determined figure. The ferromagnetic exchange coupling in complex 18 is determined by overlap of the small magnetically active SOMOs of the metal centers and their minor delocalization towards nitrogen atoms of the bridging azide anions …”

“…That review also covers some pseudohalide metal complexes with Girard T reagent hydrazones reported up until 2012 , . In recent years our two research groups (K. Anđelković and co‐workers and I. Turel and co‐workers) have made significant contributions in research into coordination chemistry of pseudohalide metal complexes with Girard T reagent hydrazones . A summary of pseudohalide metal complexes with Girard T reagent hydrazones reported until now is given in Table .…”

Synthesis, characterization, DFT calculations and antimicrobial activity of Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard’s T reagent

“…ethan-1-aminium chloride (HLCl). HLCl was synthesized in the reaction of 2-quinolinecarboxaldehyde and Girard's T reagent according to the previously described method [17]. IR (cm (C8), 148.9 (C8a), 167.0 (C10).…”

“…One part of our research deals with systematic investigation of coordination chemistry, magnetic properties and biological activity of hydrazone metal complexes with pseudohalide ligands. Recently, we systematically investigated pseudohalide complexes of Ni(II) and Zn(II) with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium acetohydrazide chloride (Girard's T reagent) (HLCl) [17,18]. As a continuation of this research, reactions of Cd(II) with HLCl ligand and pseudohalides (azide, cyanate, thiocyanate) were performed in the present study.…”