TY - GEN
T1 - Release of molecular hydrogen in the borazine-cyclotriborazane cycle
AU - Heine, Thomas
AU - Seifert, Gotthard
AU - Barthel, Robert
AU - Grigas, Annett
AU - Lorenz, Tommy
PY - 2006
Y1 - 2006
N2 - Release of molecular hydrogen in the borazine-cyclotriborazane cycle The borazine (B3N3H6) - cyclotriborazane (B3N3H12) cycle offers an interesting possibility to store hydrogen with reasonable gravimetric and volumetric storage capacities. The release of H2 is an exothermal process, and an increase of temperature further favours the formation of borazine. We present quantum-chemical calculations of the reaction energy, profile and mechanism. Special emphasis is given on the temperature dependence of the reaction.
AB - Release of molecular hydrogen in the borazine-cyclotriborazane cycle The borazine (B3N3H6) - cyclotriborazane (B3N3H12) cycle offers an interesting possibility to store hydrogen with reasonable gravimetric and volumetric storage capacities. The release of H2 is an exothermal process, and an increase of temperature further favours the formation of borazine. We present quantum-chemical calculations of the reaction energy, profile and mechanism. Special emphasis is given on the temperature dependence of the reaction.
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M3 - Conference contribution
AN - SCOPUS:34047265169
SN - 0841274266
SN - 9780841274266
T3 - ACS National Meeting Book of Abstracts
BT - Abstracts of Papers - 232nd American Chemical Society Meeting and Exposition
T2 - 232nd American Chemical Society Meeting and Exposition
Y2 - 10 September 2006 through 14 September 2006
ER -