Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9577936 | Chemical Physics Letters | 2005 | 5 Pages |
Abstract
According to MP2, CCD, and CCSD(T) calculations, H3BOBeHe (1A1) is a helium compound potentially observable as a metastable species. In fact, it is stable with respect to He and BH3 detachment, and is separated by a barrier of ca. 3 kcal molâ1 from the more stable H2B-O-BeH and He. In addition, its He detachment energy of nearly 5-6 kcal molâ1 is almost twice that of OBeHe. This suggests that, using suited neutral Lewis acids, an otherwise poor helium acceptor could be activated so to fix the lightest noble gas. Confirming this prediction is a challenge for future 'computational experiments'.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Stefano Borocci, Nicoletta Bronzolino, Felice Grandinetti,