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Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone

Authorized Users Only
2020
Authors
Keškić, Tanja
Jagličić, Zvonko
Pevec, Andrej
Čobeljić, Božidar
Radanović, Dušanka
Gruden, Maja
Turel, Iztok
Anđelković, Katarina
Brčeski, Ilija
Zlatar, Matija
Article (Published version)
,
Elsevier
Metadata
Show full item record
Abstract
Two binuclear double end-on azido bridged Ni(II) complexes, [Ni2L2(μ-1,1-N3)2(N3)2]⋅2H2O (1a), and [Ni2L2(μ-1,1-N3)2(N3)2]⋅4H2O (1b) having the same inner sphere, where L=((E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium, were synthesized from the same solution and characterized by single-crystal X-ray diffraction methods. Variable‐temperature magnetic susceptibility measurements showed intra-dimer ferromagnetic coupling between Ni(II) ions. The ferromagnetic coupling is supported by the broken-symmetry DFT calculations, with the level of theory chosen based on a benchmark study on 19 additional structurally related binuclear Ni(II) complexes. The role of water molecules in crystals of 1a and 1b is explained by DFT based energy decomposition analysis.
Keywords:
Ni(II) binuclear complexes / X-ray structure / Ferromagnetic coupling / broken symmetry DFT / Double-hybrid functionals / Energy Decomposition Analysis / DFT / exchange coupling / crystal water / double end-on azido bridge
Source:
Polyhedron, 2020, 191, 114802-
Publisher:
  • Elsevier
Funding / projects:
  • Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200168 (University of Belgrade, Faculty of Chemistry) (RS-200168)
  • Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200026 (University of Belgrade, Institute of Chemistry, Technology and Metallurgy - IChTM) (RS-200026)
  • Slovenian Research Agency (P1-0175)
  • Slovenian Research Agency (P2-0348)
Note:
  • The peer-reviewed version: http://cer.ihtm.bg.ac.rs/handle/123456789/3685
  • Supplementary data: https://cer.ihtm.bg.ac.rs/handle/123456789/4439
  • Crystallographic data (CCDC 2009327): https://cer.ihtm.bg.ac.rs/handle/123456789/4441
  • Crystallographic data (CCDC 2009328): https://cer.ihtm.bg.ac.rs/handle/123456789/4440
Related info:
  • Version of
    https://cer.ihtm.bg.ac.rs/handle/123456789/3685
  • Referenced by
    https://cer.ihtm.bg.ac.rs/handle/123456789/4439
  • Referenced by
    https://cer.ihtm.bg.ac.rs/handle/123456789/4440
  • Referenced by
    https://cer.ihtm.bg.ac.rs/handle/123456789/4441

DOI: 10.1016/j.poly.2020.114802

ISSN: 0277-5387

WoS: 000583325200007

Scopus: 2-s2.0-85091795591
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URI
https://cer.ihtm.bg.ac.rs/handle/123456789/3684
Collections
  • Radovi istraživača / Researchers' publications
Institution/Community
IHTM
TY  - JOUR
AU  - Keškić, Tanja
AU  - Jagličić, Zvonko
AU  - Pevec, Andrej
AU  - Čobeljić, Božidar
AU  - Radanović, Dušanka
AU  - Gruden, Maja
AU  - Turel, Iztok
AU  - Anđelković, Katarina
AU  - Brčeski, Ilija
AU  - Zlatar, Matija
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3684
AB  - Two binuclear double end-on azido bridged Ni(II) complexes, [Ni2L2(μ-1,1-N3)2(N3)2]⋅2H2O (1a), and [Ni2L2(μ-1,1-N3)2(N3)2]⋅4H2O (1b) having the same inner sphere, where L=((E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium, were synthesized from the same solution and characterized by single-crystal X-ray diffraction methods. Variable‐temperature magnetic susceptibility measurements showed intra-dimer ferromagnetic coupling between Ni(II) ions. The ferromagnetic coupling is supported by the broken-symmetry DFT calculations, with the level of theory chosen based on a benchmark study on 19 additional structurally related binuclear Ni(II) complexes. The role of water molecules in crystals of 1a and 1b is explained by DFT based energy decomposition analysis.
PB  - Elsevier
T2  - Polyhedron
T1  - Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone
VL  - 191
SP  - 114802
DO  - 10.1016/j.poly.2020.114802
ER  - 
@article{
author = "Keškić, Tanja and Jagličić, Zvonko and Pevec, Andrej and Čobeljić, Božidar and Radanović, Dušanka and Gruden, Maja and Turel, Iztok and Anđelković, Katarina and Brčeski, Ilija and Zlatar, Matija",
year = "2020",
abstract = "Two binuclear double end-on azido bridged Ni(II) complexes, [Ni2L2(μ-1,1-N3)2(N3)2]⋅2H2O (1a), and [Ni2L2(μ-1,1-N3)2(N3)2]⋅4H2O (1b) having the same inner sphere, where L=((E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium, were synthesized from the same solution and characterized by single-crystal X-ray diffraction methods. Variable‐temperature magnetic susceptibility measurements showed intra-dimer ferromagnetic coupling between Ni(II) ions. The ferromagnetic coupling is supported by the broken-symmetry DFT calculations, with the level of theory chosen based on a benchmark study on 19 additional structurally related binuclear Ni(II) complexes. The role of water molecules in crystals of 1a and 1b is explained by DFT based energy decomposition analysis.",
publisher = "Elsevier",
journal = "Polyhedron",
title = "Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone",
volume = "191",
pages = "114802",
doi = "10.1016/j.poly.2020.114802"
}
Keškić, T., Jagličić, Z., Pevec, A., Čobeljić, B., Radanović, D., Gruden, M., Turel, I., Anđelković, K., Brčeski, I.,& Zlatar, M.. (2020). Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone. in Polyhedron
Elsevier., 191, 114802.
https://doi.org/10.1016/j.poly.2020.114802
Keškić T, Jagličić Z, Pevec A, Čobeljić B, Radanović D, Gruden M, Turel I, Anđelković K, Brčeski I, Zlatar M. Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone. in Polyhedron. 2020;191:114802.
doi:10.1016/j.poly.2020.114802 .
Keškić, Tanja, Jagličić, Zvonko, Pevec, Andrej, Čobeljić, Božidar, Radanović, Dušanka, Gruden, Maja, Turel, Iztok, Anđelković, Katarina, Brčeski, Ilija, Zlatar, Matija, "Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone" in Polyhedron, 191 (2020):114802,
https://doi.org/10.1016/j.poly.2020.114802 . .

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