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

Romanović, Mima Č.; Čobeljić, Božidar; Pevec, Andrej; Turel, Iztok; Spasojević, Vojislav; Tsaturyan, Arshak A.; Shcherbakov, Igor N.; Anđelković, Katarina K.; Milenković, Marina; Radanović, Dušanka D.; Milenković, Milica R.

doi:10.1016/j.poly.2017.02.039

Abstract

A dinuclear double end-on azido bridged KM complex [Ni2L2(mu-(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 Ni2+ ions (J= +12.0(2) cm(-1)) and inter-dimer antiferromagnetic interaction (delta = -0.8(3) cm(-1)) were observed. DFT-BS calculations provided explanation of ferromagnetic exchange coupling in complex 1.

Keywords:

Crystal structure / DFT / Hydrazones / Magnetic properties / Ni(II) complex

Source:
Polyhedron, 2017, 128, 30-37

Publisher:

Pergamon-Elsevier Science Ltd, Oxford

Projects:

Interactions of natural products, their derivatives and coordination compounds with proteins and nucleic acids (RS-172055)
COST Action
Slovenian Research Agency [P-0175]
SFedU [213.01-07-2014/03PChVG]

Note:

This is the peer-reviewed version of the following article: Romanović, M. Č.; Čobeljić, B. R.; Pevec, A.; Turel, I.; Spasojević, V.; Tsaturyan, A. A.; Shcherbakov, I. N.; Anđelković, K. K.; Milenković, M.; Radanović, D.; et al. 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. Polyhedron 2017, 128, 30–37. https://doi.org/10.1016/j.poly.2017.02.039
Supplementary material:http://cherry.chem.bg.ac.rs/handle/123456789/3101