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

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

Pacific Northwest National Laboratory

Research output: Chapter in Book/Report/Conference proceeding › Conference 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 language	English
Title of host publication	American Chemical Society - 236th National Meeting and Exposition, Abstracts of Scientific Papers
Publication status	Published - Dec 1 2008
Event	236th National Meeting and Exposition of the American Chemical Society, ACS 2008 - Philadelpia, PA, United States Duration: Aug 17 2008 → Aug 21 2008

Publication series

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

Other

Other	236th National Meeting and Exposition of the American Chemical Society, ACS 2008
Country	United States
City	Philadelpia, PA
Period	8/17/08 → 8/21/08

ASJC Scopus subject areas

Chemistry(all)
Chemical Engineering(all)

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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 American Chemical Society - 236th National Meeting and Exposition, Abstracts of Scientific Papers (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.

American Chemical Society - 236th National Meeting and Exposition, Abstracts of Scientific Papers. 2008. (ACS National Meeting Book of Abstracts).

Research output: Chapter in Book/Report/Conference proceeding › Conference 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 American Chemical Society - 236th National Meeting and Exposition, Abstracts of Scientific Papers. 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.

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