Ab initio studies of molecules with NCCO units. Part 2. 1-Amino-2-propanone, 2-methylaminoethanal and 2-aminopropanal
✍ Scribed by Luis Carballeira; Ignacio Férez-Juste
- Book ID
- 113258774
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 801 KB
- Volume
- 360
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
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Ab initio molecular orbital calculations at the Gl level have been used to examine the structure and relative stabilities of the H#ZOSi+ molecular ions. Our results show that the two most stable species correspond to a distonic and to a non-d&tonic ion, the former being 6.7 kcal/mol more stable than
syn-2-Nitrosopropene was generated, in the gas phase, by chemical reaction of 1-chloro-2-(hydroxyimino)propane with K 2 CO 3 and identified by microwave spectroscopy. The microwave spectrum of the reaction product was observed in the frequency range from 8.0 to 40.0 GHz. The rotational constants (MH