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Interaction of trifluorohalomethanes with active nitrogen

โœ 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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โœฆ 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.


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A computational study of the reaction ki
โœ R. J. Berry; Paul Marshall ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 153 KB ๐Ÿ‘ 2 views

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