cis-2,2′-Bipyrimidine-Bridged Polynuclear Complex: A Stairway-like Mixed-Valent {Fe4} Cluster

Publikationstyp:
Zeitschriftenaufsatz
Metadaten:
Autoren
  • Pablo Albores
  • Eva Rentschler
Autoren-URL
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=fis-test-1&SrcAuth=WosAPI&KeyUT=WOS:000282084600037&DestLinkType=FullRecord&DestApp=WOS_CPL
DOI
10.1021/ic1013472
Externe Identifier
  • Clarivate Analytics Document Solution ID: 653JD
  • PubMed Identifier: 20806904
ISSN
0020-1669
Ausgabe der Veröffentlichung
19
Zeitschrift
INORGANIC CHEMISTRY
Paginierung
8953 - 8961
Datum der Veröffentlichung
2010
Status
Published
Titel
<i>cis</i>-2,2′-Bipyrimidine-Bridged Polynuclear Complex: A Stairway-like Mixed-Valent {Fe<sub>4</sub>} Cluster
Sub types
  • Article
Ausgabe der Zeitschrift
49

Datenquelle: Web of Science (Lite)

Andere Metadatenquellen:
Autoren
  • Pablo Alborés
  • Eva Rentschler
DOI
10.1021/ic1013472
eISSN
1520-510X
ISSN
0020-1669
Ausgabe der Veröffentlichung
19
Zeitschrift
Inorganic Chemistry
Sprache
en
Online publication date
2010
Paginierung
8953 - 8961
Datum der Veröffentlichung
2010
Status
Published
Herausgeber
American Chemical Society (ACS)
Herausgeber URL
http://dx.doi.org/10.1021/ic1013472
Datum der Datenerfassung
2023
Titel
<i>cis</i>-2,2′-Bipyrimidine-Bridged Polynuclear Complex: A Stairway-like Mixed-Valent {Fe<sub>4</sub>} Cluster
Ausgabe der Zeitschrift
49

Datenquelle: Crossref

Abstract
We report the first example of a polynuclear discrete coordination compound exhibiting only bpym bridges and containing a first-row d transition metal. A smooth self-assembly one-pot synthetic route, starting from simply FeCl(2) and FeCl(3) hydrates, allowed us to prepare a tetranuclear Fe(4) cluster with a stairway-like structure and the formula cis-{[(H(2)O)Cl(3)Fe(III)-μ(bpym)Fe(II)Cl(2)]}(2)-μ(bpym) (1) . All spectroscopic data suggest that complex 1 is a valence-localized mixed-valent Fe(II)-Fe(III) cluster with typical Mössbauer lines for both sites, which do not change with temperature. Reflectance spectroscopy did not allow one to distinguish an intervalence charge-transfer band. However, time-dependent density functional theory (DFT) calculations predict a weak high-energy Fe(II) → Fe(III) transition. Regarding the magnetic properties, the high-spin Fe(II) and Fe(III) ions interact in a weakly antiferromagnetic way with isotropic J constants of only a few wavenumbers as derived from direct-current susceptibility and magnetization data. Broken-symmetry DFT calculations support these observations.
Addresses
  • Institut für Anorganische Chemie und Analytische Chemie, Johannes Gutenberg-Mainz Universität, Duesbergweg 10-14, D-55099 Mainz, Germany. albores@qi.fcen.uba.ar
Autoren
  • Pablo Alborés
  • Eva Rentschler
DOI
10.1021/ic1013472
eISSN
1520-510X
Externe Identifier
  • PubMed Identifier: 20806904
Open access
false
ISSN
0020-1669
Ausgabe der Veröffentlichung
19
Zeitschrift
Inorganic chemistry
Schlüsselwörter
  • Ferric Compounds
  • Ferrous Compounds
  • Pyrimidines
  • Crystallography, X-Ray
  • Magnetics
  • Models, Molecular
  • Molecular Dynamics Simulation
Sprache
eng
Medium
Print
Paginierung
8953 - 8961
Datum der Veröffentlichung
2010
Status
Published
Datum der Datenerfassung
2010
Titel
cis-2,2'-Bipyrimidine-bridged polynuclear complex: a stairway-like mixed-valent {Fe(4)} cluster.
Sub types
  • Research Support, Non-U.S. Gov't
  • Journal Article
Ausgabe der Zeitschrift
49

Datenquelle: Europe PubMed Central

Abstract
We report the first example of a polynuclear discrete coordination compound exhibiting only bpym bridges and containing a first-row d transition metal. A smooth self-assembly one-pot synthetic route, starting from simply FeCl(2) and FeCl(3) hydrates, allowed us to prepare a tetranuclear Fe(4) cluster with a stairway-like structure and the formula cis-{[(H(2)O)Cl(3)Fe(III)-μ(bpym)Fe(II)Cl(2)]}(2)-μ(bpym) (1) . All spectroscopic data suggest that complex 1 is a valence-localized mixed-valent Fe(II)-Fe(III) cluster with typical Mössbauer lines for both sites, which do not change with temperature. Reflectance spectroscopy did not allow one to distinguish an intervalence charge-transfer band. However, time-dependent density functional theory (DFT) calculations predict a weak high-energy Fe(II) → Fe(III) transition. Regarding the magnetic properties, the high-spin Fe(II) and Fe(III) ions interact in a weakly antiferromagnetic way with isotropic J constants of only a few wavenumbers as derived from direct-current susceptibility and magnetization data. Broken-symmetry DFT calculations support these observations.
Autoren
  • Pablo Alborés
  • Eva Rentschler
Autoren-URL
https://www.ncbi.nlm.nih.gov/pubmed/20806904
DOI
10.1021/ic1013472
eISSN
1520-510X
Ausgabe der Veröffentlichung
19
Zeitschrift
Inorg Chem
Schlüsselwörter
  • Crystallography, X-Ray
  • Ferric Compounds
  • Ferrous Compounds
  • Magnetics
  • Models, Molecular
  • Molecular Dynamics Simulation
  • Pyrimidines
Sprache
eng
Country
United States
Paginierung
8953 - 8961
Datum der Veröffentlichung
2010
Status
Published
Datum, an dem der Datensatz öffentlich gemacht wurde
2011
Titel
cis-2,2'-Bipyrimidine-bridged polynuclear complex: a stairway-like mixed-valent {Fe(4)} cluster.
Sub types
  • Journal Article
  • Research Support, Non-U.S. Gov't
Ausgabe der Zeitschrift
49

Datenquelle: PubMed

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