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Statements

Subject Item
n2:RIV%2F61989592%3A15310%2F12%3A33140853%21RIV13-MSM-15310___
rdf:type
skos:Concept n6:Vysledek
dcterms: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.
dcterms: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
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
skos:notation
RIV/61989592:15310/12:33140853!RIV13-MSM-15310___
n6:predkladatel
n7:orjk%3A15310
n3:aktivita
n13:S n13:P
n3:aktivity
P(ED2.1.00/03.0058), P(EE2.3.20.0017), P(GAP207/11/0841), P(GP203/09/P370), S
n3:cisloPeriodika
1
n3:dodaniDat
n9:2013
n3:domaciTvurceVysledku
n12:2321459 n12:5469015 n12:6407226
n3:druhVysledku
n5:J
n3:duvernostUdaju
n20:S
n3:entitaPredkladatele
n18:predkladatel
n3:idSjednocenehoVysledku
120169
n3:idVysledku
RIV/61989592:15310/12:33140853
n3:jazykVysledku
n15:eng
n3:klicovaSlova
DFT; Crystal structure; Antiferromagnetic exchange; 5-(Pyrimidyl)tetrazolate; Manganese(II) complex
n3:klicoveSlovo
n4:DFT n4:Manganese%28II%29%20complex n4:5-%28Pyrimidyl%29tetrazolate n4:Crystal%20structure n4:Antiferromagnetic%20exchange
n3:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n3:kontrolniKodProRIV
[34D8C7B1C383]
n3:nazevZdroje
Polyhedron
n3:obor
n16:CA
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
3
n3:projekt
n14:GAP207%2F11%2F0841 n14:ED2.1.00%2F03.0058 n14:EE2.3.20.0017 n14:GP203%2F09%2FP370
n3:rokUplatneniVysledku
n9:2012
n3:svazekPeriodika
42
n3:tvurceVysledku
Herchel, Radovan Trávníček, Zdeněk Novosád, David
n3:wos
000307152900008
s:issn
0277-5387
s:numberOfPages
7
n17:doi
10.1016/j.poly.2012.04.041
n19:organizacniJednotka
15310