The gas phase reactions of benzyl radicals with O, O3, and NO3: Rate, mechanism, and unimolecular decomposition of the chemically activated benzoxy radical

1997 ◽  
Vol 101 (3) ◽  
pp. 538-544 ◽  
Author(s):  
K. Hoyermann ◽  
J. Seeba ◽  
M. Olzmann ◽  
B. Viskolcz

1995 ◽  
Vol 410 ◽  
Author(s):  
Mark D. Allendorf ◽  
Carl F. Melius ◽  
Thomas H. Osterheld

ABSTRACTThe kinetics of gas-phase reactions occurring during the CVD of boron nitride (BN) from BCl3 and NH3 are investigated using an elementary reaction mechanism whose rate constants were obtained from theoretical predictions and literature sources. Plug-flow calculations using this mechanism predict that unimolecular decomposition of BCl3 is not significant under typical CVD conditions, but that some NH3 decomposition may occur, especially for deposition occurring at atmospheric pressure. Reaction of BCl3 with NH3 is rapid under CVD conditions and yields species containing both boron and nitrogen. One of these compounds, Cl2BNH2, is predicted to be a key gas-phase precursor to BN.



Author(s):  
Victor N. Kondratiev ◽  
Evgeniĭ E. Nikitin


2021 ◽  
Vol 23 (5) ◽  
pp. 3377-3388
Author(s):  
Kelsey J. Menard ◽  
Jonathan Martens ◽  
Travis D. Fridgen

Vibrational spectroscopy and computational chemistry studies were combined with the aim of elucidating the structures of protonated imidacloprid (pIMI), and its unimolecular decomposition products.



Author(s):  
Jonathan R. Church ◽  
Veronica Vaida ◽  
Rex T. Skodje


2012 ◽  
Vol 1 (1) ◽  
pp. P46-P53 ◽  
Author(s):  
Ran Zuo ◽  
Haiqun Yu ◽  
Nan Xu ◽  
Xiaokun He


1957 ◽  
Vol 79 (17) ◽  
pp. 4609-4616 ◽  
Author(s):  
Adon A. Gordus ◽  
John E. Willard




1990 ◽  
Vol 93 (8) ◽  
pp. 5700-5708 ◽  
Author(s):  
Jeunghee Park ◽  
Richard Bersohn ◽  
Izhack Oref


1993 ◽  
Vol 168 (2) ◽  
pp. 177-181 ◽  
Author(s):  
E Borsella ◽  
S Botti ◽  
R Alexandrescu ◽  
I Morjan ◽  
T Dikonimos-Makris ◽  
...  


The work described in this and the following paper is a continuation of that in parts I and II, devoted to elucidation of the mechanism of the reactions of methylene with chloroalkanes, with particular reference to the reactivities of singlet and triplet methylene in abstraction and insertion processes. The products of the reaction between methylene, prepared by the photolysis of ketene, and 1-chloropropane have been identified and estimated and their dependence on reactant pressures, photolysing wavelength and presence of foreign gases (oxygen and carbon mon­oxide) has been investigated. Both insertion and abstraction mechanisms contribute significantly to the over-all reaction, insertion being relatively much more important than with chloroethane. This type of process appears to be confined to singlet methylene. If, as seems likely, there is no insertion into C—Cl bonds under our conditions (see part IV), insertion into C2—H and C3—H bonds occurs in statistical ratio, approximately. On the other hand, the chlorine substituent reduces the probability of insertion into C—H bonds in its vicinity. As in the chloroethane system, both species of methylene show a high degree of selectivity in their abstraction reactions. We find that k S Cl / k S H >7.7, k T Cl / k T H < 0.14, where the k ’s are rate constants for abstraction, and the super- and subscripts indicate the species of methylene and the type of atom abstracted, respectively. Triplet methylene is discriminating in hydrogen abstraction from 1-C 3 H 7 Cl, the overall rates for atoms attached to C1, C2, C3 being in the ratios 2.63:1:0.



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