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Aminoacetylene and Its Mono‐ and Dication—Identification of Potentially Interstellar Molecules
Author(s) -
van Baar Ben,
Koch Wolfram,
Lebrilla Carlito,
Terlouw Johan K.,
Weiske Thomas,
Schwarz Helmut
Publication year - 1986
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.198608271
Subject(s) - dication , chemistry , ab initio , ionization , mass spectrum , decarbonylation , molecule , spectral line , ab initio quantum chemistry methods , gas phase , computational chemistry , mass spectrometry , radical ion , ion , photochemistry , physics , organic chemistry , chromatography , astronomy , catalysis
Interpreted as indirect evidence of aminoacetylene in the gas phase , are the identical mass spectra of the radical cation 1 , which is formed by decarbonylation of 2 , and of the radical cation that was obtained after neutralization of 1 by re ionization. The structure 1 is proven by a peak at m/z 16, which does not appear in the spectra of other radical cations of empirical formula C 2 H 3 N. Ab‐initio calculations show high activation energies for fragmentations or isomerizations, both for 1 as well as for aminoacetylene.