Stacked Nickelocenes: Synthesis, Structural Characterization, and Magnetic Properties

Publication type:
Journal article
Metadata:
Autoren
  • Sabrina Trtica
  • Marc Heinrich Prosenc
  • Michael Schmidt
  • Juergen Heck
  • Ole Albrecht
  • Detlef Goerlitz
  • Frank Reuter
  • Eva Rentschler
Autoren-URL
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=fis-test-1&SrcAuth=WosAPI&KeyUT=WOS:000274240700057&DestLinkType=FullRecord&DestApp=WOS_CPL
DOI
10.1021/ic902058n
eISSN
1520-510X
Externe Identifier
  • Clarivate Analytics Document Solution ID: 551VT
  • PubMed Identifier: 20085267
ISSN
0020-1669
Ausgabe der Veröffentlichung
4
Zeitschrift
INORGANIC CHEMISTRY
Paginierung
1667 - 1673
Datum der Veröffentlichung
2010
Status
Published
Titel
Stacked Nickelocenes: Synthesis, Structural Characterization, and Magnetic Properties
Sub types
  • Article
Ausgabe der Zeitschrift
49

Data source: Web of Science (Lite)

Other metadata sources:
Autoren
  • Sabrina Trtica
  • Marc Heinrich Prosenc
  • Michael Schmidt
  • Jürgen Heck
  • Ole Albrecht
  • Detlef Görlitz
  • Frank Reuter
  • Eva Rentschler
DOI
10.1021/ic902058n
eISSN
1520-510X
ISSN
0020-1669
Ausgabe der Veröffentlichung
4
Zeitschrift
Inorganic Chemistry
Sprache
en
Online publication date
2010
Paginierung
1667 - 1673
Datum der Veröffentlichung
2010
Status
Published
Herausgeber
American Chemical Society (ACS)
Herausgeber URL
http://dx.doi.org/10.1021/ic902058n
Datum der Datenerfassung
2023
Titel
Stacked Nickelocenes: Synthesis, Structural Characterization, and Magnetic Properties
Ausgabe der Zeitschrift
49

Data source: Crossref

Abstract
The disubstitution of 1,8-diiodonaphthalene (1) with cyclopentadienyl nucleophiles reveals 1,8-(dicyclopentadienyl)-naphthalene, which rapidly undergoes Diels-Alder reaction forming 1,8-(3a',4',7',7a'-tetrahydro-4',7'-methanoindene-7a',8'-diyl)-naphthalene (2). A subsequent retro-Diels-Alder reaction in the presence of sodium hydride yields the disodium salt of 1,8-(dicyclopentadiendiyl)-naphthalene 3. The disodium salt 3 was the starting material to obtain the paramagnetic bisnickelocene derivative 4, which structure was obtained by X-ray structure analysis, revealing two nickelocenes kept together in a stacked fashion by a 1,8-naphthalene clamp. An electronic interaction between the two nickel atoms is found as a result of cyclic voltammetry, indicating five different oxidation states +4, +3, +2, +1, and 0. The magnetic properties of 4 in solution were studied by variable temperature paramagnetic (1)H NMR spectroscopy and Evans method and revealed Curie behavior between 213 and 293 K. The magnetic susceptibility of a powdered sample of 4 was measured, and an antiferromagnetic interaction with an exchange coupling of J(12) = -31.49 cm(-1) is found. In accord with experimental data, broken symmetry density functional theory (DFT) calculations revealed four antiferromagnetically coupled electrons resulting in an open shell singlet ground state.
Addresses
  • Institute of Inorganic and Analytical Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg, Germany.
Autoren
  • Sabrina Trtica
  • Marc Heinrich Prosenc
  • Michael Schmidt
  • Jürgen Heck
  • Ole Albrecht
  • Detlef Görlitz
  • Frank Reuter
  • Eva Rentschler
DOI
10.1021/ic902058n
eISSN
1520-510X
Externe Identifier
  • PubMed Identifier: 20085267
Open access
false
ISSN
0020-1669
Ausgabe der Veröffentlichung
4
Zeitschrift
Inorganic chemistry
Sprache
eng
Medium
Print
Paginierung
1667 - 1673
Datum der Veröffentlichung
2010
Status
Published
Datum der Datenerfassung
2010
Titel
Stacked nickelocenes: synthesis, structural characterization, and magnetic properties.
Sub types
  • Journal Article
Ausgabe der Zeitschrift
49

Data source: Europe PubMed Central

Abstract
The disubstitution of 1,8-diiodonaphthalene (1) with cyclopentadienyl nucleophiles reveals 1,8-(dicyclopentadienyl)-naphthalene, which rapidly undergoes Diels-Alder reaction forming 1,8-(3a',4',7',7a'-tetrahydro-4',7'-methanoindene-7a',8'-diyl)-naphthalene (2). A subsequent retro-Diels-Alder reaction in the presence of sodium hydride yields the disodium salt of 1,8-(dicyclopentadiendiyl)-naphthalene 3. The disodium salt 3 was the starting material to obtain the paramagnetic bisnickelocene derivative 4, which structure was obtained by X-ray structure analysis, revealing two nickelocenes kept together in a stacked fashion by a 1,8-naphthalene clamp. An electronic interaction between the two nickel atoms is found as a result of cyclic voltammetry, indicating five different oxidation states +4, +3, +2, +1, and 0. The magnetic properties of 4 in solution were studied by variable temperature paramagnetic (1)H NMR spectroscopy and Evans method and revealed Curie behavior between 213 and 293 K. The magnetic susceptibility of a powdered sample of 4 was measured, and an antiferromagnetic interaction with an exchange coupling of J(12) = -31.49 cm(-1) is found. In accord with experimental data, broken symmetry density functional theory (DFT) calculations revealed four antiferromagnetically coupled electrons resulting in an open shell singlet ground state.
Autoren
  • Sabrina Trtica
  • Marc Heinrich Prosenc
  • Michael Schmidt
  • Jürgen Heck
  • Ole Albrecht
  • Detlef Görlitz
  • Frank Reuter
  • Eva Rentschler
Autoren-URL
https://www.ncbi.nlm.nih.gov/pubmed/20085267
DOI
10.1021/ic902058n
eISSN
1520-510X
Ausgabe der Veröffentlichung
4
Zeitschrift
Inorg Chem
Sprache
eng
Country
United States
Paginierung
1667 - 1673
Datum der Veröffentlichung
2010
Status
Published
Datum, an dem der Datensatz öffentlich gemacht wurde
2010
Titel
Stacked nickelocenes: synthesis, structural characterization, and magnetic properties.
Sub types
  • Journal Article
Ausgabe der Zeitschrift
49

Data source: PubMed

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