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 recordAbstract
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 bridgeSource:
Polyhedron, 2020, 191, 114802-Publisher:
- Elsevier
Projects:
- Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200168 (University of Belgrade, Faculty of Chemistry) (RS-200168)
- Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200026 (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
DOI: 10.1016/j.poly.2020.114802
ISSN: 0277-5387