Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis

Milčić, Miloš; Gruden, Maja; Zlatar, Matija

Neočekivani Ni(III) komleks sa hidrazonskim ligandom – analiza spinskih stanja

2023

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Authors

Milčić, Miloš

Gruden, Maja

Zlatar, Matija

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Abstract

During synthesis of Ni(II) complex with (E)−1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium ligand (L) unexpected oxidation of Ni(II) to Ni(III) with atmospheric oxygen occurred at mild conditions. Unusual spin and magnetic properties of the synthesized octahedral [NiL(N3)3] complex, were further investigated with Density Functional Theory (DFT) methods.

Tokom sinteze kompleksa nikla(II) sa tridentatnim I−1-(2-okso-2-(2-(1-(piridin-2-il)etiliden)hydrazinil)etil)piridin-1-ijum ligandom (L) došlo je do neočekivane oksidacije Ni(II) u Ni(III), vazdušnim kiseonikom, pri veoma blagim uslovima. Nastali oktaedarski [NiL(N3)3] kompleks pokazuje veoma zanimljive spinske i magnetne osobine, koje su proučavane metodama teorije funkcionala gustine (DFT).

Keywords:

DFT / octahedral complexes / transition metal complexes / synthesis / Ni(II) / Ni(III) / spin states / magnetic properties / spin density

Source:
2023

Publisher:

TMMagCat project

Funding / projects:

TMMagCat - Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes (RS-7750288)

Note:

Poster presented at: 59th Meeting of the Serbian Chemical Society, Belgrade, Serbia, June 01-02, 2023.
Abstract: https://cer.ihtm.bg.ac.rs/handle/123456789/6210

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IHTM

TY  - CONF
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6230
AB  - During synthesis of Ni(II) complex with (E)−1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium ligand (L) unexpected oxidation of Ni(II) to Ni(III) with atmospheric oxygen occurred at mild conditions. Unusual spin and magnetic properties of the synthesized octahedral [NiL(N3)3] complex, were further investigated with Density Functional Theory (DFT) methods.
AB  - Tokom sinteze kompleksa nikla(II) sa tridentatnim I−1-(2-okso-2-(2-(1-(piridin-2-il)etiliden)hydrazinil)etil)piridin-1-ijum ligandom (L) došlo je do neočekivane oksidacije Ni(II) u Ni(III), vazdušnim kiseonikom, pri veoma blagim uslovima. Nastali oktaedarski [NiL(N3)3] kompleks pokazuje veoma zanimljive spinske i magnetne osobine, koje su proučavane metodama teorije funkcionala gustine (DFT).
PB  - TMMagCat project
T1  - Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis
T1  - Neočekivani Ni(III) komleks sa hidrazonskim ligandom – analiza  spinskih stanja
UR  - https://hdl.handle.net/21.15107/rcub_cer_6230
ER  -

@conference{
author = "Milčić, Miloš and Gruden, Maja and Zlatar, Matija",
year = "2023",
abstract = "During synthesis of Ni(II) complex with (E)−1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium ligand (L) unexpected oxidation of Ni(II) to Ni(III) with atmospheric oxygen occurred at mild conditions. Unusual spin and magnetic properties of the synthesized octahedral [NiL(N3)3] complex, were further investigated with Density Functional Theory (DFT) methods., Tokom sinteze kompleksa nikla(II) sa tridentatnim I−1-(2-okso-2-(2-(1-(piridin-2-il)etiliden)hydrazinil)etil)piridin-1-ijum ligandom (L) došlo je do neočekivane oksidacije Ni(II) u Ni(III), vazdušnim kiseonikom, pri veoma blagim uslovima. Nastali oktaedarski [NiL(N3)3] kompleks pokazuje veoma zanimljive spinske i magnetne osobine, koje su proučavane metodama teorije funkcionala gustine (DFT).",
publisher = "TMMagCat project",
title = "Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis, Neočekivani Ni(III) komleks sa hidrazonskim ligandom – analiza  spinskih stanja",
url = "https://hdl.handle.net/21.15107/rcub_cer_6230"
}

Milčić, M., Gruden, M.,& Zlatar, M.. (2023). Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis. 
TMMagCat project..
https://hdl.handle.net/21.15107/rcub_cer_6230

Milčić M, Gruden M, Zlatar M. Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_6230 .

Milčić, Miloš, Gruden, Maja, Zlatar, Matija, "Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis" (2023),
https://hdl.handle.net/21.15107/rcub_cer_6230 .