Cationic and neutral nitrosamide: viable molecules in the dilute gas phase
✍ Scribed by Helge Egsgaard; Lars Carlsen; Thomas Weiske; Detlev Sülzle; Helmut Schwarz
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 369 KB
- Volume
- 199
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Nitrosamide, NHINO, has been generated and characterized in the dilute gas phase by means of neutralization rtionization mass spectrometq in combination with extensive isotopic laWing. The molecule was found to be stable under these conditions having a minimal lifetime in the microsecond time frame. No evidence for isomerizations either of the cationic or the neutral nitrosamide was obtained
1. IntTodnetIon
The parent nitrosamide, NH2N0, apparently is the key intermediate in the reaction between the amidogen radical (NI&) and NO [ 11. This process has formed the subject of significant research efforts stimulated by the possible role of NH2N0 in atmospheric as well as in combustion reactions [ 2-71. The curreqt interest is due to the development of highly effective processes aimed at the removal of NO in the after-treatment of industrial off gases [ 8 1. Thus, the thermal removal of NO as well as selective catalytical reactions (e.g. the SCR method) are able to reduce selectively the NO emissions from largescale combustors such as those applied in electric power plants [2,6-S].
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Computations at the RCCSD(T)/aug-cc-pVDZ//B3LYP/6-31G\* level of theory indicate that neutral C 6 CO is a stable species. The ground state of this neutral is the singlet cumulene oxide :C=C=C=C=C=C=C=O. The adiabatic electron affinity and dipole moment of singlet C 6 CO are 2.47 eV and 4.13 D, respe