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| rdf:type
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| Description
| - A series of novel mononuclear iron(III) complexes [Fe(saldpt)(atz)] (1) and [Fe(Rsalpet)(atz)] (2a-d) involving 5-aminotetrazole (Hatz) and pentadentate Schiff base ligands (H2saldpt = N,N'-bis(2-hydroxybenzyliden)- 1,7-diamino-4-azaheptane, H2salpet = N,N'-bis(2-hydroxybenzyliden)-1,6-diamino-3-azahexane, H25Cl-salpet = N,N'-bis(5-chloro-2-hydroxybenzylidene)-1,6-diamino-3-azahexane, H25Br-salpet = N,N'- bis(5-bromo-2-hydroxybenzylidene)-1,6-diamino-3-azahexane and H23,5Br-salpet = N,N'-bis(3,5-dibromo- 2-hydroxybenzylidene)-1,6-diamino-3-azahexane) was prepared and characterized by elemental analysis, FTIR spectroscopy, mass spectrometry, single crystal X-ray analysis, magnetic measurements and 57Fe Mössbauer spectroscopy. In contrast to the high-spin magnetic properties of [Fe(saldpt)(atz)] (1), the complexes [Fe(Rsalpet)(atz)] (2a-d) undergo spin crossover with critical temperatures above 416 K. Furthermore, DFT calculations with the B3LYP functional were employed to investigate the effect of the conductor- like screening model (COSMO) and van der Waals corrections (VDW) as well as relativistic effects with the scalar relativistic second-order Douglas-Kroll-Hess Hamiltonian (DKH2) on low-spin and highspin molecular geometries and thus on spin crossover parameters (enthalpy, entropy and critical temperature).
- A series of novel mononuclear iron(III) complexes [Fe(saldpt)(atz)] (1) and [Fe(Rsalpet)(atz)] (2a-d) involving 5-aminotetrazole (Hatz) and pentadentate Schiff base ligands (H2saldpt = N,N'-bis(2-hydroxybenzyliden)- 1,7-diamino-4-azaheptane, H2salpet = N,N'-bis(2-hydroxybenzyliden)-1,6-diamino-3-azahexane, H25Cl-salpet = N,N'-bis(5-chloro-2-hydroxybenzylidene)-1,6-diamino-3-azahexane, H25Br-salpet = N,N'- bis(5-bromo-2-hydroxybenzylidene)-1,6-diamino-3-azahexane and H23,5Br-salpet = N,N'-bis(3,5-dibromo- 2-hydroxybenzylidene)-1,6-diamino-3-azahexane) was prepared and characterized by elemental analysis, FTIR spectroscopy, mass spectrometry, single crystal X-ray analysis, magnetic measurements and 57Fe Mössbauer spectroscopy. In contrast to the high-spin magnetic properties of [Fe(saldpt)(atz)] (1), the complexes [Fe(Rsalpet)(atz)] (2a-d) undergo spin crossover with critical temperatures above 416 K. Furthermore, DFT calculations with the B3LYP functional were employed to investigate the effect of the conductor- like screening model (COSMO) and van der Waals corrections (VDW) as well as relativistic effects with the scalar relativistic second-order Douglas-Kroll-Hess Hamiltonian (DKH2) on low-spin and highspin molecular geometries and thus on spin crossover parameters (enthalpy, entropy and critical temperature). (en)
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| Title
| - 5-Aminotetrazole induces spin crossover in iron(III) pentadentate Schiff base complexes: experimental and theoretical investigations
- 5-Aminotetrazole induces spin crossover in iron(III) pentadentate Schiff base complexes: experimental and theoretical investigations (en)
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| skos:prefLabel
| - 5-Aminotetrazole induces spin crossover in iron(III) pentadentate Schiff base complexes: experimental and theoretical investigations
- 5-Aminotetrazole induces spin crossover in iron(III) pentadentate Schiff base complexes: experimental and theoretical investigations (en)
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| skos:notation
| - RIV/61989592:15310/13:33145858!RIV14-GA0-15310___
|
| http://linked.open...avai/riv/aktivita
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| http://linked.open...avai/riv/aktivity
| - P(ED2.1.00/03.0058), P(EE2.3.20.0017), P(GAP207/11/0841), S
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| http://linked.open...iv/cisloPeriodika
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| http://linked.open...vai/riv/dodaniDat
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| http://linked.open...aciTvurceVysledku
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| http://linked.open.../riv/druhVysledku
| |
| http://linked.open...iv/duvernostUdaju
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| http://linked.open...titaPredkladatele
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| http://linked.open...dnocenehoVysledku
| |
| http://linked.open...ai/riv/idVysledku
| - RIV/61989592:15310/13:33145858
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| http://linked.open...riv/jazykVysledku
| |
| http://linked.open.../riv/klicovaSlova
| - Schiff base; iron(III) complexes; spin crossover; 5-Aminotetrazole (en)
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| http://linked.open.../riv/klicoveSlovo
| |
| http://linked.open...odStatuVydavatele
| - GB - Spojené království Velké Británie a Severního Irska
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| http://linked.open...ontrolniKodProRIV
| |
| http://linked.open...i/riv/nazevZdroje
| - Dalton Transactions (print)
|
| http://linked.open...in/vavai/riv/obor
| |
| http://linked.open...ichTvurcuVysledku
| |
| http://linked.open...cetTvurcuVysledku
| |
| http://linked.open...vavai/riv/projekt
| |
| http://linked.open...UplatneniVysledku
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| http://linked.open...v/svazekPeriodika
| |
| http://linked.open...iv/tvurceVysledku
| - Herchel, Radovan
- Trávníček, Zdeněk
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| http://linked.open...ain/vavai/riv/wos
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| issn
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| number of pages
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| http://bibframe.org/vocab/doi
| |
| http://localhost/t...ganizacniJednotka
| |
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