About: A dinuclear manganese(II) complex {[Na-2(H2O)(4)Mn-2(u-pmtz)(4)(NCS)(2)].chi H2O)(n) with 5-(pyrimidyl)tetrazolato bridges involved in 1D ladder-like chains: Synthesis, X-ray structure, magnetic properties and DFT calculations

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About: A dinuclear manganese(II) complex {[Na-2(H2O)(4)Mn-2(u-pmtz)(4)(NCS)(2)].chi H2O)(n) with 5-(pyrimidyl)tetrazolato bridges involved in 1D ladder-like chains: Synthesis, X-ray structure, magnetic properties and DFT calculations Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	A dinuclear manganese(II) unit of the composition {[Na-2(H2O)(4)Mn-2(u-pmtz)(4)(NCS)(2)].chi H2O)(n) (1.H2O) (x = 3 or 0.5), where pmtz = 5-(pyrimidyl)tetrazolate(1-), involved in 1D ladder-like chains mediated through pmtz bridges, was prepared and characterized by elemental analysis, FT-IR spectroscopy, simultaneous thermogravimetric (TG) and differential thermal (DTA) analyses, single crystal X-ray analysis and magnetic measurements, accompanied by DFT calculations. The magnetic data, treated with the spin Hamiltonian formalism, revealed a weak antiferromagnetic exchange mediated via the kappa N-2(1),N-7:kappa N-2 chelating/bridging mode of pmtz. This finding was also supported by the DFT calculations performed on the experimentally determined geometry of the dinuclear manganese(II) unit at the B3LYP/TZVP and B2PLYP/TZVP levels of theory. A dinuclear manganese(II) unit of the composition {[Na-2(H2O)(4)Mn-2(u-pmtz)(4)(NCS)(2)].chi H2O)(n) (1.H2O) (x = 3 or 0.5), where pmtz = 5-(pyrimidyl)tetrazolate(1-), involved in 1D ladder-like chains mediated through pmtz bridges, was prepared and characterized by elemental analysis, FT-IR spectroscopy, simultaneous thermogravimetric (TG) and differential thermal (DTA) analyses, single crystal X-ray analysis and magnetic measurements, accompanied by DFT calculations. The magnetic data, treated with the spin Hamiltonian formalism, revealed a weak antiferromagnetic exchange mediated via the kappa N-2(1),N-7:kappa N-2 chelating/bridging mode of pmtz. This finding was also supported by the DFT calculations performed on the experimentally determined geometry of the dinuclear manganese(II) unit at the B3LYP/TZVP and B2PLYP/TZVP levels of theory. (en)
Title	A dinuclear manganese(II) complex {[Na-2(H2O)(4)Mn-2(u-pmtz)(4)(NCS)(2)].chi H2O)(n) with 5-(pyrimidyl)tetrazolato bridges involved in 1D ladder-like chains: Synthesis, X-ray structure, magnetic properties and DFT calculations A dinuclear manganese(II) complex {[Na-2(H2O)(4)Mn-2(u-pmtz)(4)(NCS)(2)].chi H2O)(n) with 5-(pyrimidyl)tetrazolato bridges involved in 1D ladder-like chains: Synthesis, X-ray structure, magnetic properties and DFT calculations (en)
skos:prefLabel	A dinuclear manganese(II) complex {[Na-2(H2O)(4)Mn-2(u-pmtz)(4)(NCS)(2)].chi H2O)(n) with 5-(pyrimidyl)tetrazolato bridges involved in 1D ladder-like chains: Synthesis, X-ray structure, magnetic properties and DFT calculations A dinuclear manganese(II) complex {[Na-2(H2O)(4)Mn-2(u-pmtz)(4)(NCS)(2)].chi H2O)(n) with 5-(pyrimidyl)tetrazolato bridges involved in 1D ladder-like chains: Synthesis, X-ray structure, magnetic properties and DFT calculations (en)
skos:notation	RIV/61989592:15310/12:33140853!RIV13-MSM-15310___
http://linked.open...avai/riv/aktivita	P S
http://linked.open...avai/riv/aktivity	P(ED2.1.00/03.0058), P(EE2.3.20.0017), P(GAP207/11/0841), P(GP203/09/P370), S
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Trávníček, Zdeněk Herchel, Radovan Novosád, David
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	120169
http://linked.open...ai/riv/idVysledku	RIV/61989592:15310/12:33140853
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	DFT; Crystal structure; Antiferromagnetic exchange; 5-(Pyrimidyl)tetrazolate; Manganese(II) complex (en)
http://linked.open.../riv/klicoveSlovo	5-(Pyrimidyl)tetrazolate Antiferromagnetic exchange Manganese(II) complex Crystal structure DFT
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[34D8C7B1C383]
http://linked.open...i/riv/nazevZdroje	Polyhedron
http://linked.open...in/vavai/riv/obor	CA
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (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 Research team development of the Regional Centre of Advanced Technologies and Materials Molecular magnetism based on transition metal complexes
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	42
http://linked.open...iv/tvurceVysledku	Herchel, Radovan Trávníček, Zdeněk Novosád, David
http://linked.open...ain/vavai/riv/wos	000307152900008
issn	0277-5387
number of pages	7 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.poly.2012.04.041
http://localhost/t...ganizacniJednotka	15310

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