4.1 Article

Synthesis, characterization and DFT studies of 1, 1′-Bis(diphenylphosphino)ferrocene substituted diiron complexes: Bioinspired [FeFe] hydrogenase model complexes

Journal

JOURNAL OF CHEMICAL SCIENCES
Volume 127, Issue 3, Pages 557-563

Publisher

INDIAN ACAD SCIENCES
DOI: 10.1007/s12039-015-0809-y

Keywords

Bioinorganic chemistry; hydrogenase enzyme; bidentate phosphine; proton reduction; redox active ligands; density functional calculations

Funding

  1. Department of Science & Technology (DST), India [SR/S1/IC-28/2011]
  2. University of Delhi

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The reaction of [Fe-2(CO)(6)(mu-toluene-3, 4-benzenedithiolate)] 1 and bidentate diphosphine, 1, 1'-bis(diphenylphosphino)ferrocene (dppf) has been studied. New complexes obtained have been characterized by various spectroscopic techniques as bioinspired models of the iron hydrogenase active site. The crystal structure of [Fe-2(CO)(5)(kappa(1)-dppfO)(mu-toluene-3, 4-benzenedithiolate)] 4 is reported.

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