Noble gas monoxides stabilized in a dipolar cavity: a theoretical study.
نویسندگان
چکیده
Encouraged by our previous theoretical results that indicated the stabilization of the HeO unit inside the ferroelectric cavity composed of two parallel LiF dipoles, we have now undertaken the theoretical study for the related noble gas systems, (NgO)(MF)2, Ng = Ar, Kr, Xe, M = Li, Na, K. The computational results indicate that all such molecules constitute local minima, which are protected by sizable energy barriers especially for M = Li, Na, and thus these systems might constitute interesting synthetic targets at low temperatures.
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عنوان ژورنال:
- The journal of physical chemistry. A
دوره 119 11 شماره
صفحات -
تاریخ انتشار 2015