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Equilibrium structure and two kinds of dissociation energy of the ammonia dimer cation H3NH+ …NH2

✍ Scribed by Shinji Tomoda; Katsumi Kimura

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
331 KB
Volume
121
Category
Article
ISSN
0009-2614

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✦ Synopsis

Ab initio calculations ~vc the equilibrium stn~cturc 01 the ammonia dimcr czuion as a complcn between the ammonium ion (N;if ) and the aminyl radical (NH2). Dissocialion energies of this calion are e~~lua~cd IO be about 1.0 and 1.7 CV [or the wo signiticant channels inlo NH; +NH, and NH, +NH;. respective!y. The redsons for lhe large discrepancy ( = 1 eV) between lhese values and those estimated from experiments are disrmssed.

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