Reactions of O2+ with OH-isoprene adduct isomers: Exothermicity, product ions, and rate constants Academic Article uri icon

abstract

  • The chemical ionization mass spectroscopy (CIMS) was employed for the detection of OH-isoprene adduct radicals. The structures and energies of the product ions from the charge transfer reactions of oxygen ion with OH-isoprene adduct radicals were estimated by ab initio calculations. Density functional theory provided the geometry optimizations of the OH-isoprene adduct cations. Ion energies were calculated by the coupled-cluster theory with single and double excitations.

published proceedings

  • The Journal of Chemical Physics

author list (cited authors)

  • Zhang, R., & Lei, W.

citation count

  • 15

complete list of authors

  • Zhang, Renyi||Lei, Wenfang

publication date

  • November 2000