Differences and Commonalities in the Gas-Phase Reactions of Closed-Shell Metal Dioxide Clusters [MO2]+(M=V, Nb, and Ta) with Methane

2016 ◽  
Vol 22 (21) ◽  
pp. 7225-7228 ◽  
Author(s):  
Shaodong Zhou ◽  
Jilai Li ◽  
Maria Schlangen ◽  
Helmut Schwarz
2020 ◽  
Author(s):  
Abdelwahid Mellouki ◽  
Markus Ammann ◽  
R. Anthony Cox ◽  
John N. Crowley ◽  
Hartmut Herrmann ◽  
...  

Abstract. This article, the eighth in the series, presents kinetic and photochemical datasheets evaluated by the IUPAC Task Group on Atmospheric Chemical Kinetic Data Evaluation. It covers the gas phase thermal and photochemical reactions of organic species with four, or more, carbon atoms (≥ C4) available on the IUPAC website in 2019, including thermal reactions of closed-shell organic species with HO and NO3 radicals, and their photolysis. The article consists of a summary table, containing the recommended kinetic parameters for the evaluated reactions, and a supplement containing the datasheets, which provide information upon which the recommendations are made.


2021 ◽  
Vol 21 (6) ◽  
pp. 4797-4808
Author(s):  
Abdelwahid Mellouki ◽  
Markus Ammann ◽  
R. Anthony Cox ◽  
John N. Crowley ◽  
Hartmut Herrmann ◽  
...  

Abstract. This article, the eighth in the series, presents kinetic and photochemical data sheets evaluated by the IUPAC Task Group on Atmospheric Chemical Kinetic Data Evaluation. It covers the gas-phase thermal and photochemical reactions of organic species with four, or more, carbon atoms (≥ C4) available on the IUPAC website in 2021, including thermal reactions of closed-shell organic species with HO and NO3 radicals and their photolysis. The present work is a continuation of volume II (Atkinson et al., 2006), with new reactions and updated data sheets for reactions of HO (77 reactions) and NO3 (36 reactions) with ≥ C4 organics, including alkanes, alkenes, dienes, aromatics, oxygenated, organic nitrates and nitro compounds in addition to photochemical processes for nine species. The article consists of a summary table (Table 1), containing the recommended kinetic parameters for the evaluated reactions, and a supplement containing the data sheets, which provide information upon which recommendations are made.


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

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

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.


2004 ◽  
Vol 108 (46) ◽  
pp. 10080-10088 ◽  
Author(s):  
Inés Corral ◽  
Otilia Mó ◽  
Manuel Yáñez ◽  
Jean-Yves Salpin ◽  
Jeanine Tortajada ◽  
...  

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