Intermetal coupling in [(η5-C5R 5)Fe(dppe)]2(μ-CH=CHCH=CH) and in their dicationic and monocationic mixed-valence forms

Min Chul Chung, Xinhong Gu, Beth A. Etzenhouser, Anne Marie Spuches, Peter T. Rye, Sripriya K. Seetharaman, David J. Rose, Jon Zubieta, Michael B. Sponsler

Research output: Contribution to journalArticlepeer-review

57 Scopus citations


The butadienediyl-bridged complexes [(η5-C5R 5)Fe(dppe)]2(μ-CH=CHCH=CH) (R = H, Me) and their radical cationic and dicationic forms have been prepared and characterized by cyclic voltammetry, electronic spectroscopy (UV-vis and near-IR), EPR, and X-ray crystallography (R = Me). Comparisons with each other and with the literature complexes [(η5-C5R 5)Fe(dppm)]2(μ-CH=CHCH=CH), [(η5-C 5Me5)Fe(dppe)]2(μ-C≡CC≡C), and [(η5-C5Me5)-Fe(dppe)] 2(μ-C(OMe)=CHCH=C(OMe)) have allowed for systematic evaluation of several structural variations (C5H5 vs C 5Me5, dppm vs dppe, μ-CH=CHCH=CH vs μ-C≡CC≡C, and μ-CH=CHCH=CH vs μ-C(OMe)=CHCH=C(OMe)) and their effects on spectra and electronic intermetal coupling. Some of the structural changes have opposite effects on Hab, the effective coupling parameter, and Kc, the comproportionation constant. The data for the mixed-valence cations are most consistent with electronic delocalization.

Original languageEnglish (US)
Pages (from-to)3485-3494
Number of pages10
Issue number17
StatePublished - Aug 18 2003

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry


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