Iron(III) complexes with pentadentate Schiff-base ligands: Influence of crystal packing change and pseudohalido coligand variations on spin crossover

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

Autoren

  • Christoph Krüger
  • Peter Augustín
  • L'Ubor Dlháň
  • Ján Pavlik
  • Ján Moncol'
  • Ivan Nemec
  • Roman Boča
  • Franz Renz

Organisationseinheiten

Externe Organisationen

  • Slowakische Technische Universität Bratislava (STU)
  • Palacky University
  • University of SS Cyril and Methodius, Trnava
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Details

OriginalspracheEnglisch
Seiten (von - bis)194-201
Seitenumfang8
FachzeitschriftPOLYHEDRON
Jahrgang87
PublikationsstatusVeröffentlicht - 17 Feb. 2015

Abstract

Two novel iron(III) complexes involving pentadentate Schiff-base ligands, [Fe(LBr)(L1)], show temperature induced incomplete spin crossover of a gradual nature. While for the L1 = NCSe- coligand the transition temperature (326 K or 317 K) lies above room temperature, the N3- coligand causes its drop down to 143 K or 140 K (two values were obtained by different models). This shift is associated with a significant decrease of the enthalpy of the transition from about ΔH = 6.1 kJ mol-1 to ca. ΔH = 1.7 kJ mol-1, while the entropy of the transition is about ΔS = 19 J K-1 mol-1 and ΔS = 12 J K-1 mol-1, respectively. Two analogous complexes with Cl- and NCS- coligands remain high-spin over the whole temperature range.

ASJC Scopus Sachgebiete

Zitieren

Iron(III) complexes with pentadentate Schiff-base ligands: Influence of crystal packing change and pseudohalido coligand variations on spin crossover. / Krüger, Christoph; Augustín, Peter; Dlháň, L'Ubor et al.
in: POLYHEDRON, Jahrgang 87, 17.02.2015, S. 194-201.

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

Krüger C, Augustín P, Dlháň LU, Pavlik J, Moncol' J, Nemec I et al. Iron(III) complexes with pentadentate Schiff-base ligands: Influence of crystal packing change and pseudohalido coligand variations on spin crossover. POLYHEDRON. 2015 Feb 17;87:194-201. doi: 10.1016/j.poly.2014.11.014
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title = "Iron(III) complexes with pentadentate Schiff-base ligands: Influence of crystal packing change and pseudohalido coligand variations on spin crossover",
abstract = "Two novel iron(III) complexes involving pentadentate Schiff-base ligands, [Fe(LBr)(L1)], show temperature induced incomplete spin crossover of a gradual nature. While for the L1 = NCSe- coligand the transition temperature (326 K or 317 K) lies above room temperature, the N3- coligand causes its drop down to 143 K or 140 K (two values were obtained by different models). This shift is associated with a significant decrease of the enthalpy of the transition from about ΔH = 6.1 kJ mol-1 to ca. ΔH = 1.7 kJ mol-1, while the entropy of the transition is about ΔS = 19 J K-1 mol-1 and ΔS = 12 J K-1 mol-1, respectively. Two analogous complexes with Cl- and NCS- coligands remain high-spin over the whole temperature range.",
keywords = "Iron(III) complexes, Ising-like model, Pseudohalides, Schiff-base ligand, Spin crossover",
author = "Christoph Kr{\"u}ger and Peter August{\'i}n and L'Ubor Dlh{\'a}{\v n} and J{\'a}n Pavlik and J{\'a}n Moncol' and Ivan Nemec and Roman Bo{\v c}a and Franz Renz",
note = "Funding Information: Grant Agencies (Slovakia: VEGA-1/0233/12, APVV-0014-11, APVV-0132-11; Germany: DAAD SK/DE; Czech Republic: PrF_2014_09) are acknowledged for the financial support. ",
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Download

TY - JOUR

T1 - Iron(III) complexes with pentadentate Schiff-base ligands

T2 - Influence of crystal packing change and pseudohalido coligand variations on spin crossover

AU - Krüger, Christoph

AU - Augustín, Peter

AU - Dlháň, L'Ubor

AU - Pavlik, Ján

AU - Moncol', Ján

AU - Nemec, Ivan

AU - Boča, Roman

AU - Renz, Franz

N1 - Funding Information: Grant Agencies (Slovakia: VEGA-1/0233/12, APVV-0014-11, APVV-0132-11; Germany: DAAD SK/DE; Czech Republic: PrF_2014_09) are acknowledged for the financial support.

PY - 2015/2/17

Y1 - 2015/2/17

N2 - Two novel iron(III) complexes involving pentadentate Schiff-base ligands, [Fe(LBr)(L1)], show temperature induced incomplete spin crossover of a gradual nature. While for the L1 = NCSe- coligand the transition temperature (326 K or 317 K) lies above room temperature, the N3- coligand causes its drop down to 143 K or 140 K (two values were obtained by different models). This shift is associated with a significant decrease of the enthalpy of the transition from about ΔH = 6.1 kJ mol-1 to ca. ΔH = 1.7 kJ mol-1, while the entropy of the transition is about ΔS = 19 J K-1 mol-1 and ΔS = 12 J K-1 mol-1, respectively. Two analogous complexes with Cl- and NCS- coligands remain high-spin over the whole temperature range.

AB - Two novel iron(III) complexes involving pentadentate Schiff-base ligands, [Fe(LBr)(L1)], show temperature induced incomplete spin crossover of a gradual nature. While for the L1 = NCSe- coligand the transition temperature (326 K or 317 K) lies above room temperature, the N3- coligand causes its drop down to 143 K or 140 K (two values were obtained by different models). This shift is associated with a significant decrease of the enthalpy of the transition from about ΔH = 6.1 kJ mol-1 to ca. ΔH = 1.7 kJ mol-1, while the entropy of the transition is about ΔS = 19 J K-1 mol-1 and ΔS = 12 J K-1 mol-1, respectively. Two analogous complexes with Cl- and NCS- coligands remain high-spin over the whole temperature range.

KW - Iron(III) complexes

KW - Ising-like model

KW - Pseudohalides

KW - Schiff-base ligand

KW - Spin crossover

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