کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9577936 1505200 2005 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
From OBeHe to H3BOBeHe: Enhancing the stability of a neutral helium compound
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
From OBeHe to H3BOBeHe: Enhancing the stability of a neutral helium compound
چکیده انگلیسی
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'.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 406, Issues 1–3, 23 April 2005, Pages 179-183
نویسندگان
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