Repozytorium
Wyszukaj
Kolekcje
Inne
Experimental and theoretical studies of the reactions of chlorine atoms with 1,2-dichloroethane and 1,2-dichloroethane-d4 in the gas phase. The kinetics of hydrogen atom abstraction from the–CH2Cl group in chloroethane and 1,2-dichloroethane.
Autorzy
Rok wydania
2014
Czasopismo
Numer woluminu
597
Strony
86-93
DOI
10.1016/j.cplett.2014.02.026
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
The rate constant for H-abstraction (kH) from CH2ClCH2Cl and D-abstraction (kD) from CD2ClCD2Cl by chlorine atoms is described by the expressions: kH = (1.99 ± 0.12) × 10−11 exp(−777 ± 23/T) cm3 molecule−1 s−1 and kD = (1.73 ± 0.12) × 10−11 exp(−1148 ± 16/T) cm3 molecule−1 s−1. The experiment revealed significant differences in the values of the rate constants for the abstraction of H-atom from the –CH2Cl group in chloroethane and 1,2-dichloroethane. The explanation of these differences was the subject of theoretical studies. The calculated potential energy barriers for the abstraction reaction confirmed the experimental results.
Adres publiczny
http://dx.doi.org/10.1016/j.cplett.2014.02.026
Strona internetowa wydawcy
Podobne publikacje
Experimental and theoretical study of the kinetics and mechanism of the reaction of chlorine atoms with CH3CHClCH3 and CD3CDClCD3
Sarzyński Dariusz S., Fojcik Łukasz, Latajka Zdzisław
Infrared spectroscopy and ab initio study of hydrogen bonded Cl3CD·N(CH3)3 complex in the gas phase.
Rutkowski K. S., Melikova S. M., Linok O. V., Czarnik-Matusewicz Bogusława, Rospenk Maria
Gas phase FT-IR spectra and structure of aminoalcohols with intramolecular hydrogen bonds. I. The shape of the ν(OH) vibrational bands in R2NC3H6OH (R=H, CH3).
Przesławska Małgorzata, Melikova S. M., Lipkowski Paweł, Koll Aleksander
