Untangling the reaction dynamics of the silylidyne radical ( SiH ; X 2 P ) with acetylene ( C 2
نویسندگان
چکیده
The chemical reaction dynamics of silylidyne (SiH; XP) with acetylene (C2H2; X Rg ) were studied exploiting the crossed molecular beam approach, and compared with previous studies on D1silylidyne with acetylene. The reaction is initiated by a barrierless addition of silylidyne to one or both carbons of acetylene leading to 1-sila-1-propene-1,3-diylidene and/or the cyclic 1-silacyclopropenyl with the former isomerizing to the latter. 1-Silacyclopropenyl eventually loses atomic hydrogen yielding silacyclopropenylidene (c-SiC2H2) in an overall exoergic reaction (experiment: 14.7 ± 8.5 kJ mol ; theory: 13 ± 3 kJ mol ). The enthalpy of formation for silacyclopropenylidene is determined to be 421.4 ± 9.3 kJ mol . 2016 Elsevier B.V. All rights reserved.
منابع مشابه
Formation of the 2,3-Dimethyl-1-silacycloprop-2-enylidene Molecule via the Crossed Beam Reaction of the Silylidyne Radical (SiH; X<sup>2</sup>Π) with Dimethylacetylene (CH<sub>3</sub>CCCH<sub>3</sub>; X<sup>1</sup>A<sub>1g</sub>)
We carried out crossed molecular beam experiments and electronic structure calculations to unravel the chemical dynamics of the reaction of the silylidyne(-d1) radical (SiH/SiD; X Π) with dimethylacetylene (CH3CCCH3; X A1g). The chemical dynamics were indirect and initiated by the barrierless addition of the silylidyne radical to both carbon atoms of dimethylacetylene forming a cyclic collision...
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تاریخ انتشار 2016