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Some theoretically based speculations on the structure of ammoniated NH5+

✍ Scribed by E. Kassab; J. Fouquet; E.M. Evleth

Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 401 KB
Volume: 153
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(88)85254-0

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✦ Synopsis

The ab initio structures of ammoniated complexes of NH: are computed at the UHF level. Except for some weakly bound complexes of NHf with H and NH,+ with Hz, no significant minima arc found on the ground-state hypersurface of NH;. However, the next higher homolog, N2H8+, is found to have a dimer structure, NHf NH4, analogous to Na+. This molecular species can be conceptually generated by protonation of the experimentally known monoammoniated NH, Rydberg radical.

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