The fragmentation of C2H6N+ ions: an alternative mechanism
โ Scribed by Vincenzo Barone; Francesco Lelj; Pasquale Grande; Nino Russo; Marirosa Toscano
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 360 KB
- Volume
- 133
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
An MNDO characterisation of the potential energy surface of the C2HsN+ system provides a coherent picture which can explain all the experimental observations. The distinctive feature of this study is the elucidation of the role played by several intermediates in the loss of acetylene and molecular hydrogen from the most stable ions [ CHSCHNH2 ] + and [ CH3NHCH2] + . Ab initio computations for the most significant energy extrema confirm the MNDO results.
๐ SIMILAR VOLUMES
The low-energy fragmentation characteristics of the [H, ,C,N,O,]+' isomers [H,CNOJ+' (a), [H,C=N(O)OHJ+' (b), [H,CONO]+' (c), [HC(O)NHOH]+' (d) and [HC(OH)=NOH]+' (e) were studied in detail by metastable ion mass spectrometry. In agreement with most earlier observations, appearance energy measuremen