BIP! Finder - Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone

2019 • Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone

Authors: Darinka Darmanović, Igor N. Shcherbakov, Carole Duboc, Vojislav Spasojević, Darko Hanzel, Katarina Anđelković, Dušanka Radanović, Iztok Turel, Milica R. Milenković, Maja Gruden, Božidar Čobeljić, Matija Zlatar

Venue: The Journal of Physical Chemistry C

Type: Publication

Abstract: Magnetic anisotropy in pentagonal bipyramidal complexes of Co(II) (1 and 2), Fe(III) (3 and 4), and Ni(II) (5) with a 2,2′-[2,6-pyridinediylbis(ethylidyne-1-hydrazinyl-2-ylidene)]bis[N,N,N-trimethyl-2-oxoethanaminium] equatorial ligand and isothiocyanato axial ligands has been investigated by magnetic susceptibility measurements, powder X-band electron paramagnetic resonance (EPR) spectroscopy, Mössbauer spectroscopy, ab initio, and ligand-field density functional theory (LFDFT) calculations. The studied complexes display three distinct type... (read more)

Topics: Crystallography Nuclear magnetic resonance

DOI: 10.1021/acs.jpcc.9b08066

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