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- W1966129898 abstract "Noble gas anions of general formula FNgBN- (Ng = He−Xe) have been investigated by MP2, coupled-cluster, and multireference-CI calculations with correlation-consistent basis sets. These species reside in deep wells on the singlet potential energy surface and are thermodynamically stable with respect to the loss of F, F-, BN, and BN-. They are unstable with respect to Ng + FBN-, but at least for Ng = Ar, Kr, and Xe, the involved energy barriers are high enough to suggest their conceivable existence as metastable species. The stability of FNgBN- arises from the strong F--stabilization of the elusive NgBN. The character of the boron−noble gas bond passes from purely ionic for FHeBN- and FNeBN- to covalent for FXeBN-." @default.
- W1966129898 created "2016-06-24" @default.
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- W1966129898 date "2007-09-14" @default.
- W1966129898 modified "2023-09-26" @default.
- W1966129898 title "Noble Gas Anions: A Theoretical Investigation of FNgBN<sup>-</sup> (Ng = He−Xe)" @default.
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- W1966129898 doi "https://doi.org/10.1021/jp0743673" @default.
- W1966129898 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17854163" @default.
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