Ab Initio Study of the Electronic Spectrum of the CH₃OCH₂ Radical

Creator(s)

Ruifeng Liu, East Tennessee State University
M. M. Maricq, Ford Motor Company
Yumin Li, Purdue University
Joseph S. Francisco, Purdue University

Document Type

Article

Publication Date

3-1-1999

Description

Vertical excitation energies and transition moments have been computed for transitions to low-lying excited states of CH3OCH2 radical. The peak at 300 nm observed in the gas-phase absorption spectrum of CH3OCH2 is assigned to the à 2A state and the band observed at 205 nm may be attributed to an electronic transition from doubly occupied lone pair orbitals of oxygen to the singly occupied p orbital of carbon. .

Citation Information

Liu, Ruifeng; Maricq, M. M.; Li, Yumin; and Francisco, Joseph S.. 1999. Ab Initio Study of the Electronic Spectrum of the CH₃OCH₂ Radical. Journal of Chemical Physics. Vol.110(9). 4410-4412. https://doi.org/10.1063/1.478323 ISSN: 0021-9606