A chemical dynamics study of the reaction of the methylidyne radical (CH, X<sup>2</sup>Π) with dimethylacetylene (CH<sub>3</sub>CCCH<sub>3</sub>, X<sup>1</sup>A<sub>1g</sub>)
Chao He, Kazuumi Fujioka, Anatoliy A. Nikolayev, Long Zhao, Srinivas Doddipatla, Valeriy N. Azyazov, Alexander M. Mebel, Rui Sun, Ralf I. Kaiser
Abstract
Center-of-mass flux contour map for the reaction of the methylidyne (CH; X 2 Π) radical with dimethylacetylene (CH 3 CCCH 3 ; X 1 A 1g ) leading to the formation of 1-methyl-3-methylenecyclopropene (13%) and 1-penten-3-yne (81%).
Topics & Concepts
ChemistryCrossed molecular beamHydrogenMethyl groupMolecular dynamicsReaction dynamicsHydrogen atomTriple bondHydrogen bondAb initioComputational chemistryMoleculePhysical chemistryCrystallographyDouble bondGroup (periodic table)Organic chemistryAdvanced Chemical Physics StudiesMolecular Spectroscopy and StructureAstrophysics and Star Formation Studies