Spin-State Effects on the Thermal Dihydrogen Release from Solid-State [MH(η²-H₂)dppe₂]⁺ (M = Fe, Ru, Os) Organometallic Complexes for Hydrogen Storage Applications.

ABSTRACT: Mössbauer spectroscopy, experimental thermodynamic measurements, and computational studies were performed to investigate the properties of molecular hydrogen binding to the organometallic fragments [MHdppe₂]⁺ (M = Fe, Ru, Os; dppe =1,2-bis(diphenylphosphino)ethane) to form the dihydrogen complex fragments [MH(η²-H₂)dppe₂]⁺. Mössbauer spectroscopy showed that the dehydrogenated complex [FeHdppe₂]⁺ adopts a geometry consistent with the triplet spin state, transitioning to a singlet state complex upon addition of the dihydrogen molecule in a manner similar to the previously studied dinitrogen complexes. From simulations, this spin transition behavior was found to be responsible for the strong binding behav

SUBMITTER: Abrecht DG 

PROVIDER: S-EPMC3983317 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature