Ab initio study of the electronic spectrum of the CH3OCH2 radical

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 (A) over tilde (2)A state and the band observed at 205 nm may be attri buted to an electronic transition from doubly occupied lone pair orbitals o f oxygen to the singly occupied p orbital of carbon. (C) 1999 American Inst itute of Physics. [S0021-9606(99)01209- X].