Aminoacetylene and Its Mono‐ and Dication—Identification of Potentially Interstellar Molecules | Zendy

van Baar Ben | Zendy; Koch Wolfram | Zendy; Lebrilla Carlito | Zendy; Terlouw Johan K. | Zendy; Weiske Thomas | Zendy; Schwarz Helmut | Zendy

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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.

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