Role of the first coordination sphere in hydrogen oxidation/production, hydrogen storage, and carbon dioxide reduction catalysts

Daniel L. DuBois, Mary C. Rakowski Dubois, Calvin Curtis, James A. Franz, John C. Linehan

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Catalysts capable of efficiently interconverting electrical energy and fuels will be important for a flexible and sustainable energy supply in the future. This will require an understanding of the contributions of both the first and second coordination spheres of these catalysts to fundamental hydride and proton transfer steps occurring during the catalytic cycle. Thermodynamic models are being developed for transition metal hydride complexes of the type [HM(diphosphine)2]n (n = 0 for Co, Rh; n = +1, Ni, Pd, Pt) that allow the solution bond dissociation free energies of these and the corresponding dihydride complexes to be predicted. Examples in which this information can be used to guide the design of catalysts for H2 oxidation/production, hydrogen storage, and CO2 reduction will be given. This thermodynamic information also provides an important starting point for the rational design of proton relays incorporated in the second coordination sphere.

Original languageEnglish
Title of host publication233rd ACS National Meeting, Abstracts of Scientific Papers
Publication statusPublished - Dec 28 2007
Event233rd ACS National Meeting - Chicago, IL, United States
Duration: Mar 25 2007Mar 29 2007

Publication series

NameACS National Meeting Book of Abstracts
ISSN (Print)0065-7727

Other

Other233rd ACS National Meeting
CountryUnited States
CityChicago, IL
Period3/25/073/29/07

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

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    DuBois, D. L., Rakowski Dubois, M. C., Curtis, C., Franz, J. A., & Linehan, J. C. (2007). Role of the first coordination sphere in hydrogen oxidation/production, hydrogen storage, and carbon dioxide reduction catalysts. In 233rd ACS National Meeting, Abstracts of Scientific Papers (ACS National Meeting Book of Abstracts).