A crossed molecular beam study on the reaction of boron atoms with methylacetylene and partially deuterated methylacetylene.
The reactions of ground-state boron atoms, B((2)P(j)), with methylacetylene, CH3CCH(X(1)A(1)), and its [D3]-substituted isotopomer, CD3CCH(X(1)A(1)), are studied under single collision conditions using the crossed molecular beam technique at collision energies of 21.6 and 21.9 kJ mol(-1), respectively. Utilizing the CD3CCH reactant, detailed information on the dynamics is obtained. The reaction followed indirect scattering dynamics and proceeded through at least two reaction channels via atomic deuterium and hydrogen atom elimination pathways leading eventually to two isotopomers, that is, the C(2v) symmetric D2CCCBH(X(1)A(1)) and D2CCCBD(X(1)A(1)) structures via statistical and non-statistical reaction pathways, respectively.
D000480:Alkynes / Q000737:chemistry*; D001895:Boron / Q000737:chemistry*; D002627:Chemistry, Physical / Q000379:methods*; D003903:Deuterium / Q000737:chemistry; D005740:Gases; D006859:Hydrogen / Q000737:chemistry; D006860:Hydrogen Bonding; D007554:Isotopes; D015233:Models, Statistical; D008962:Models, Theoretical; D008968:Molecular Conformation; D015394:Molecular Structure; D013696:Temperature
D000480:Alkynes; D005740:Gases; D007554:Isotopes; C022030:methylacetylene; D006859:Hydrogen; D003903:Deuterium; D001895:Boron