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; 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

Funding / 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

DOI: 10.1016/j.poly.2017.02.039

ISSN: 0277-5387

WoS: 000401047100005

Scopus: 2-s2.0-85015629397

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	19
	19

TY  - JOUR
AU  - Romanović, Mima
AU  - Čobeljić, Božidar
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Spasojević, Vojislav
AU  - Tsaturyan, Arshak A.
AU  - Shcherbakov, Igor N.
AU  - Anđelković, Katarina K.
AU  - Milenković, Marina
AU  - Radanović, Dušanka D.
AU  - Milenković, Milica R.
PY  - 2017
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3100
AB  - 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.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Polyhedron
T1  - 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
VL  - 128
SP  - 30
EP  - 37
DO  - 10.1016/j.poly.2017.02.039
ER  -

@article{
author = "Romanović, Mima and Čobeljić, Božidar and Pevec, Andrej and Turel, Iztok and Spasojević, Vojislav and Tsaturyan, Arshak A. and Shcherbakov, Igor N. and Anđelković, Katarina K. and Milenković, Marina and Radanović, Dušanka D. and Milenković, Milica R.",
year = "2017",
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.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Polyhedron",
title = "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",
volume = "128",
pages = "30-37",
doi = "10.1016/j.poly.2017.02.039"
}

Romanović, M., Čobeljić, B., Pevec, A., Turel, I., Spasojević, V., Tsaturyan, A. A., Shcherbakov, I. N., Anđelković, K. K., Milenković, M., Radanović, D. D.,& Milenković, M. R.. (2017). 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. in Polyhedron
Pergamon-Elsevier Science Ltd, Oxford., 128, 30-37.
https://doi.org/10.1016/j.poly.2017.02.039

Romanović M, Čobeljić B, Pevec A, Turel I, Spasojević V, Tsaturyan AA, Shcherbakov IN, Anđelković KK, Milenković M, Radanović DD, Milenković MR. 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. in Polyhedron. 2017;128:30-37.
doi:10.1016/j.poly.2017.02.039 .

Romanović, Mima, 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., "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" in Polyhedron, 128 (2017):30-37,
https://doi.org/10.1016/j.poly.2017.02.039 . .