Toward the regeneration of ammonia borane: Modeling hydride transfer to prospective BX3 compounds

Robert G. Potter, Michael T. Mock, Jun Li, Donald M. Camaioni, Daniel L DuBois

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

Abstract

Ammonia borane (AB) containing 19.6 wt % hydrogen is among the strongest candidates for hydrogen storage on-board fuel cell vehicles, though efficient means for hydrogenating the spent material are needed. We are investigating a scheme in which spent material is digested to BX3 using common HX reagents. The hydride affinity of BX3 is a key factor in selecting HX to optimize the efficiency of AB regeneration. We have calculated hydride affinities of various BX3 compounds using a simple isodesmic reaction scheme. The results show hydride affinity depends on the heteroatom attached to boron, as well as the nature of the organic group. These calculations suggest that BX3 compounds with X = SR, SAr and OAr are among the strongest candidates for use in regeneration schemes. Results of these calculations and supporting experiments will be presented. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

Original languageEnglish
Title of host publicationACS National Meeting Book of Abstracts
Publication statusPublished - 2008
Event236th National Meeting and Exposition of the American Chemical Society, ACS 2008 - Philadelpia, PA, United States
Duration: Aug 17 2008Aug 21 2008

Other

Other236th National Meeting and Exposition of the American Chemical Society, ACS 2008
CountryUnited States
CityPhiladelpia, PA
Period8/17/088/21/08

Fingerprint

Boranes
Ammonia
Hydrides
Boron
Hydrogen storage
Fuel cells
Hydrogen
Experiments

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

Cite this

Potter, R. G., Mock, M. T., Li, J., Camaioni, D. M., & DuBois, D. L. (2008). Toward the regeneration of ammonia borane: Modeling hydride transfer to prospective BX3 compounds. In ACS National Meeting Book of Abstracts

Toward the regeneration of ammonia borane : Modeling hydride transfer to prospective BX3 compounds. / Potter, Robert G.; Mock, Michael T.; Li, Jun; Camaioni, Donald M.; DuBois, Daniel L.

ACS National Meeting Book of Abstracts. 2008.

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

Potter, RG, Mock, MT, Li, J, Camaioni, DM & DuBois, DL 2008, Toward the regeneration of ammonia borane: Modeling hydride transfer to prospective BX3 compounds. in ACS National Meeting Book of Abstracts. 236th National Meeting and Exposition of the American Chemical Society, ACS 2008, Philadelpia, PA, United States, 8/17/08.
Potter RG, Mock MT, Li J, Camaioni DM, DuBois DL. Toward the regeneration of ammonia borane: Modeling hydride transfer to prospective BX3 compounds. In ACS National Meeting Book of Abstracts. 2008
Potter, Robert G. ; Mock, Michael T. ; Li, Jun ; Camaioni, Donald M. ; DuBois, Daniel L. / Toward the regeneration of ammonia borane : Modeling hydride transfer to prospective BX3 compounds. ACS National Meeting Book of Abstracts. 2008.
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