About: Towards a better understanding of magnetic exchange mediated by hydrogen bonds in Mn(III)/Fe(III) salen-type supramolecular dimers

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://pubs.rsc.org/en/content/articlepdf/2014/dt/c4dt02025a
Description	A thorough study of structural and magnetic properties was performed on a series of trinuclear and dinuclear Mn(III)/Fe(III) complexes consisting of [M(L4)(Solv)](+) and [Fe(CN)(5)(NO)](2-) moieties (M = Fe(III) or Mn(III), Solv = H2O or CH3OH, L4 = tetradentate salen-type ligands), in which dominant magnetic exchange is mediated by O-S-H center dot center dot center dot O-Ph hydrogen bonds in [M(L4)(Solv)](+)center dot center dot center dot[M(L4)(Solv)](+) supramolecular dimers. As deduced from magnetic analysis involving the determination of zero-field splitting (ZFS) parameters for Mn(III) and Fe(III) ions, as well as from comprehensive DFT calculations and modelling, it may be concluded that the strength of the magnetic exchange is correlated with the number of hydrogen bonds and with the O-Ph center dot center dot center dot O-S distance between the phenolic oxygen atom of the salen-type ligand (O-Ph) and the oxygen atom of the solvent molecule coordinated to the adjacent metal atom (O-S). A thorough study of structural and magnetic properties was performed on a series of trinuclear and dinuclear Mn(III)/Fe(III) complexes consisting of [M(L4)(Solv)](+) and [Fe(CN)(5)(NO)](2-) moieties (M = Fe(III) or Mn(III), Solv = H2O or CH3OH, L4 = tetradentate salen-type ligands), in which dominant magnetic exchange is mediated by O-S-H center dot center dot center dot O-Ph hydrogen bonds in [M(L4)(Solv)](+)center dot center dot center dot[M(L4)(Solv)](+) supramolecular dimers. As deduced from magnetic analysis involving the determination of zero-field splitting (ZFS) parameters for Mn(III) and Fe(III) ions, as well as from comprehensive DFT calculations and modelling, it may be concluded that the strength of the magnetic exchange is correlated with the number of hydrogen bonds and with the O-Ph center dot center dot center dot O-S distance between the phenolic oxygen atom of the salen-type ligand (O-Ph) and the oxygen atom of the solvent molecule coordinated to the adjacent metal atom (O-S). (en)
Title	Towards a better understanding of magnetic exchange mediated by hydrogen bonds in Mn(III)/Fe(III) salen-type supramolecular dimers Towards a better understanding of magnetic exchange mediated by hydrogen bonds in Mn(III)/Fe(III) salen-type supramolecular dimers (en)
skos:prefLabel	Towards a better understanding of magnetic exchange mediated by hydrogen bonds in Mn(III)/Fe(III) salen-type supramolecular dimers Towards a better understanding of magnetic exchange mediated by hydrogen bonds in Mn(III)/Fe(III) salen-type supramolecular dimers (en)
skos:notation	RIV/61989592:15310/14:33152627!RIV15-MSM-15310___
http://linked.open...avai/riv/aktivita	P S
http://linked.open...avai/riv/aktivity	P(ED2.1.00/03.0058), P(GAP207/11/0841), S
http://linked.open...iv/cisloPeriodika	41
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Trávníček, Zdeněk Herchel, Radovan Nemec, Ivan Šilha, Tomáš
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Palackého v Olomouci / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	50787
http://linked.open...ai/riv/idVysledku	RIV/61989592:15310/14:33152627
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	mn-iii; fe-iii; crystal-structure; gaussian-basis sets; zeta valence quality; density-functional theory; transition-metal-complexes; bridged bimetallic assemblies; single-molecule magnets; manganese(iii) schiff-base (en)
http://linked.open.../riv/klicoveSlovo	gaussian-basis sets single-molecule magnets crystal-structure bridged bimetallic assemblies fe-iii manganese(iii) schiff-base mn-iii density-functional theory zeta valence quality transition-metal-complexes
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[CE7D87C11D06]
http://linked.open...i/riv/nazevZdroje	Dalton Transactions (print)
http://linked.open...in/vavai/riv/obor	CA
http://linked.open...ichTvurcuVysledku	4 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Regional Centre of Advanced Technologies and Materials Functionalized Magnetic Carriers Based on Iron Oxide Nanoparticles with Bonded Biologically Active or Magnetically Interesting Compounds
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	43
http://linked.open...iv/tvurceVysledku	Herchel, Radovan Trávníček, Zdeněk Nemec, Ivan Šilha, Tomáš
http://linked.open...ain/vavai/riv/wos	000342757600044
issn	1477-9226
number of pages	15 (xsd:int)
http://bibframe.org/vocab/doi	10.1039/c4dt02025a
http://localhost/t...ganizacniJednotka	15310

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