Experimental and theoretical study of the reaction system of 2NO2 ↔N2O4 and some fluorinated derivatives of tert-butanol in the gas phase.
- Resource Type
- Article
- Authors
- Kołodziejczyk, Wojciech; Wójcik-Pastuszka, Dorota; Berkowski, Ryszard
- Source
- Journal of Molecular Structure. Aug2014, Vol. 1071, p71-78. 8p.
- Subject
- *CHEMICAL reactions
*ULTRAVIOLET spectroscopy
*TEMPERATURE effect
*DENSITY functional theory
*HYDROXYL group
*FLUORINATION
*BUTANOL
*CHEMICAL derivatives
*GAS phase reactions
- Language
- ISSN
- 0022-2860
Highlights: [•] The UV spectra of the reaction of 2NO2 ↔N2O4 with (CF3) n C(CH3) m OH were registered. [•] The rate constant of the reaction in the temperature range 298–358K was obtained. [•] Activation energies for the forward and for the reverse reaction were calculated. [•] The mechanism of the reaction involving N2O4 was proposed. [•] The DFT calculations of UV–Vis spectra and reactions were studied. [ABSTRACT FROM AUTHOR]