3315-37-5Relevant articles and documents
Detection of1CH2 radicals in hydrocarbon pyrolysis behind shock waves using FM spectroscopy
Deppe, Joachim,Wagner, Heinz Gg.
, p. 1501 - 1525 (2007/10/03)
Singlet methylene radical (1CH2) concentrations were measured for the first time in the pyrolysis of methane (CH4) and ethane (C2H6) behind shock waves. The very sensitive frequency modulation (FM) spectroscopy, already established for sensitve detection of amino radicals (NH2)[1,2], was used for that purpose. Applying computer simulations using a complex reaction mechanism the experimental 1CH2 signals were fitted and rate coefficients of different reaction channels were obtained. For the reaction channel (1a) CH4 + M → CH3 + H + M an extented Arrhenius expression of k1a = 6.5·1018-(T/298)-1.70·exp[-366kJ mol-1/RT] cm3mol-1s-1(±50%), and futhermore rate coefficients for (7) 3CH2+CH3 → H+C2H4 with k7 = 3.2 · 1013cm3mol-1 s-1 (±40%), (11) 3CH2 + H → CH + H2 with ku = 7.9 · 1013 cm3 mol-1 s-1 (±40%), and for the intersystem crossing via (6)1CH2+M → 3CH2+M with k6 = 1.40 · 1010 · (T/K)0.9cm3mol-1s-1 (±40%) were determined. The experimental conditions ranged from 1900 to 4000 K with corresponding pressures between 0.23 to 0.54 bar. by Oldenbourg Wissenschaftsverlag, Muenchen.
Diffuse Reflectance Infrared Fourier-transform Study of the Plasma Hydrogenation of Diamond Surfaces
Ando, Toshihiro,Ishii, Motohiko,Kamo, Mutsukazu,Sato, Yoichiro
, p. 1383 - 1386 (2007/10/02)
Plasma hydrogenation of diamond surfaces was investigated using a diffuse reflectance infrared Fourier-transform (DRIFT) technique.Hydrogenation was carried out under microwave plasma conditions similar to those used for the chemical vapour deposition of diamond.Surface species chemisorbed on the diamond surface were characterized by DRIFT spectroscopy.The number of hydrogen-carbon bonds increased and the structure of the chemisorbed species on the diamond surfaces changed on increasing the temperature of the plasma hydrogenation.
Computed high-temperature rate constants for hydrogen-atom transfers involving light atoms
Mayer,Schieler,Johnston, Harold S.
, p. 385 - 391 (2008/10/08)
The procedure of Johnston and Parr for computing the potential energy and structure of a triatomic linear activated complex containing hydrogen as its central atom has been combined with the EyringPolanyi rate-constant expression to calculate rate constants at 1000° to 4000°K of gas-phase hydrogen-atom transfers for every possible reaction between the ground states of the atoms H, Li, Be, B, C, N, O, F, Na, Cl, Br, I, and any of the diatomic hydrogen compounds of these elements. The relation between activated complex theory and collision theory for reactions of this sort is examined in detail. The usual form of activated complex theory breaks down for reactions of low activation energy and high temperature, and the conditions for this failure in terms of bending vibrational amplitude are given. For these cases rate constants are evaluated by hard-sphere collision theory. Although calculated activation energy and other parameters differ from one reaction to another, these differences become unimportant at very high temperature. Almost all calculated rate constants have a value within a factor of 4 of the single value 2X10 13cc/mole/sec at 2500°K.
