Article ID Journal Published Year Pages File Type
9577936 Chemical Physics Letters 2005 5 Pages PDF
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 mol−1 from the more stable H2B-O-BeH and He. In addition, its He detachment energy of nearly 5-6 kcal mol−1 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
, , ,