Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone
Само за регистроване кориснике
2020
Аутори
Keškić, TanjaJagličić, Zvonko
Pevec, Andrej
Čobeljić, Božidar
Radanović, Dušanka D.
Gruden, Maja
Turel, Iztok
Anđelković, Katarina K.
Brčeski, Ilija
Zlatar, Matija
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
broken symmetry DFT / Double-hybrid functionals / Energy Decomposition Analysis / Ferromagnetic coupling / Ni(II) binuclear complexes / X-ray structureИзвор:
Polyhedron, 2020, 191, 114802-Издавач:
- Elsevier
Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200168 (Универзитет у Београду, Хемијски факултет) (RS-200168)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200026 (Универзитет у Београду, Институт за хемију, технологију и металургију - ИХТМ) (RS-200026)
- Slovenian Research Agency (P1-0175).
- Slovenian Research Agency (P2-0348).
Напомена:
- The peer-reviewed version: https://cherry.chem.bg.ac.rs/handle/123456789/4296
DOI: 10.1016/j.poly.2020.114802
ISSN: 0277-5387
WoS: 000583325200007
Scopus: 2-s2.0-85091795591
Колекције
Институција/група
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Keškić, Tanja AU - Jagličić, Zvonko AU - Pevec, Andrej AU - Čobeljić, Božidar AU - Radanović, Dušanka D. AU - Gruden, Maja AU - Turel, Iztok AU - Anđelković, Katarina K. AU - Brčeski, Ilija AU - Zlatar, Matija PY - 2020 UR - https://cherry.chem.bg.ac.rs/handle/123456789/4226 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 D. and Gruden, Maja and Turel, Iztok and Anđelković, Katarina K. 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. D., Gruden, M., Turel, I., Anđelković, K. 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 DD, Gruden M, Turel I, Anđelković KK, 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 D., Gruden, Maja, Turel, Iztok, Anđelković, Katarina K., 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 . .