A crossed molecular beam and ab initio investigation of the exclusive methyl loss pathway in the gas phase reaction of boron monoxide (BO; X~2Σ~+) with dimethylacetylene (CH3CCCH3; X~1A_(1g)

摘要

The crossed molecular beam reaction of boron monoxide (~(11)BO; X~2Σ~+) with dimethylacetylene (CH3CCCH3; X~1A_(1g)) was investigated at a collision energy of 23.9 ± 1.5 kJ mol~(-1). The scattering dynamics were suggested to be indirect (complex forming reaction) and were initiated by the addition of ~(11)BO(X~2Σ~+) with the radical center located at the boron atom to the π electron density at the acetylenic carbon-carbon triple bond without entrance barrier leading to cis-trans ~(11)BOC4H6 doublet radical intermediates.