Interaction of trifluorohalomethanes with active nitrogen
โ Scribed by A.P. Ongstad; S.J. David; R.D. Coombe
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 395 KB
- Volume
- 136
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
Spectra of visible emissions from the interaction of CF,I, CF,Br, and CFrCI with active nitrogen are reported. Addition of CF31 to active nitrogen produces IF B 'II,+ + X 'Z + emission. Addition of CFrBr to active nitrogen produces strong NBr b 'Z + +X 'Zemission and weak CN A 'II +X 'Z + emission. Mechanisms for production of these excited species are proposed. In addition, rate constants for collisional quenching of N,(A 3C:) by CFrI, CFrBr, and CF&I are reported.
๐ SIMILAR VOLUMES
Ab initio calculations have been used to characterize the transition states for halogen abstraction by CH 3 in reactions with CF 4 , CF 3 Cl, CF 3 Br, and CF 3 I (1-4). Geometries and frequencies were obtained at the HF/6-31G(d) and levels of theory. En-MP2 ฯญ full/6-31G(d) ergy barriers were compute