Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent

A tridentate NNO condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent (HLC1) in the presence of azide ions coordinates with cobalt(II) giving mononuclear azido Co(II) complex [CoHL (N-3)(3)](1) as a main product and dinuclear end-on azido bridged Co(II) complex [Co2L2(mu-(1,1)-N-3)(2)(N-3)(2)] (2) in traces. Crystal structures of both complexes were determined. Variable temperature magnetic susceptibility measurement studies of complex I showed that Co(II) cation is in the low-spin state with t(2g)(6)e(g)(1) (S = 1/2) configuration. DFT-BS calculations for complex 2 anticipated ferromagnetic type interaction between paramagnetic centers (J = 53 cm(-1)).

Keywords:

Hydrazones / Cobalt(II) azido complexes / Single crystal structures / DFT calculations / Magnetic properties

Source:
Polyhedron, 2018, 139, 142-147

Publisher:

Oxford : Pergamon-Elsevier Science Ltd

Funding / projects:

Interactions of natural products, their derivatives and coordination compounds with proteins and nucleic acids (RS-172055)
COST Action ECOSTBio (Explicit Control Over Spin-States in Technology and Biochemistry) including a STSM grant [CM1305, COST-STSM-CM1305-25068]
Slovenian Research Agency [P-0175]

Note:

This is a peer-review version of the article: M.C. Romanović, M.R. Milenković, A. Pevec, I. Turel, V. Spasojević, S. Grubišić, D. Radanović, K. Anđelković, B. Čobeljić, Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent, Polyhedron, 2018, 139, 142-147, https://dx.doi.org/10.1016/j.poly.2017.10.018
http://cer.ihtm.bg.ac.rs/handle/123456789/2476

DOI: 10.1016/j.poly.2017.10.018

ISSN: 0277-5387

WoS: 000419409900016

Scopus: 2-s2.0-85032457069

[ Google Scholar ]



	12
	7

TY  - JOUR
AU  - Romanović, Mima
AU  - Milenković, Milica R.
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Spasojević, Vojislav
AU  - Grubišić, Sonja
AU  - Radanović, Dušanka
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2476
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3006
AB  - A tridentate NNO condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent (HLC1) in the presence of azide ions coordinates with cobalt(II) giving mononuclear azido Co(II) complex [CoHL (N-3)(3)](1) as a main product and dinuclear end-on azido bridged Co(II) complex [Co2L2(mu-(1,1)-N-3)(2)(N-3)(2)] (2) in traces. Crystal structures of both complexes were determined. Variable temperature magnetic susceptibility measurement studies of complex I showed that Co(II) cation is in the low-spin state with t(2g)(6)e(g)(1) (S = 1/2) configuration. DFT-BS calculations for complex 2 anticipated ferromagnetic type interaction between paramagnetic centers (J = 53 cm(-1)).
PB  - Oxford : Pergamon-Elsevier Science Ltd
T2  - Polyhedron
T1  - Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent
VL  - 139
SP  - 142
EP  - 147
DO  - 10.1016/j.poly.2017.10.018
ER  -

@article{
author = "Romanović, Mima and Milenković, Milica R. and Pevec, Andrej and Turel, Iztok and Spasojević, Vojislav and Grubišić, Sonja and Radanović, Dušanka and Anđelković, Katarina and Čobeljić, Božidar",
year = "2018",
abstract = "A tridentate NNO condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent (HLC1) in the presence of azide ions coordinates with cobalt(II) giving mononuclear azido Co(II) complex [CoHL (N-3)(3)](1) as a main product and dinuclear end-on azido bridged Co(II) complex [Co2L2(mu-(1,1)-N-3)(2)(N-3)(2)] (2) in traces. Crystal structures of both complexes were determined. Variable temperature magnetic susceptibility measurement studies of complex I showed that Co(II) cation is in the low-spin state with t(2g)(6)e(g)(1) (S = 1/2) configuration. DFT-BS calculations for complex 2 anticipated ferromagnetic type interaction between paramagnetic centers (J = 53 cm(-1)).",
publisher = "Oxford : Pergamon-Elsevier Science Ltd",
journal = "Polyhedron",
title = "Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent",
volume = "139",
pages = "142-147",
doi = "10.1016/j.poly.2017.10.018"
}

Romanović, M., Milenković, M. R., Pevec, A., Turel, I., Spasojević, V., Grubišić, S., Radanović, D., Anđelković, K.,& Čobeljić, B.. (2018). Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent. in Polyhedron
Oxford : Pergamon-Elsevier Science Ltd., 139, 142-147.
https://doi.org/10.1016/j.poly.2017.10.018

Romanović M, Milenković MR, Pevec A, Turel I, Spasojević V, Grubišić S, Radanović D, Anđelković K, Čobeljić B. Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent. in Polyhedron. 2018;139:142-147.
doi:10.1016/j.poly.2017.10.018 .

Romanović, Mima, Milenković, Milica R., Pevec, Andrej, Turel, Iztok, Spasojević, Vojislav, Grubišić, Sonja, Radanović, Dušanka, Anđelković, Katarina, Čobeljić, Božidar, "Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent" in Polyhedron, 139 (2018):142-147,
https://doi.org/10.1016/j.poly.2017.10.018 . .