Carbon suboxide as a quasilinear molecule with a large amplitude bending mode

摘要: Abstract The model of a quasilinear molecule with large amplitude bending mode is used to treat C 3 O 2 . Hamiltonian operator, including the rotation-vibration interaction, derived allowing only single vibrational degree freedom, namely, ν 7 corresponding at central carbon atom. CCO angle constrained be 180°. With this rotational energy levels and, thus, molecular constants can computed for any level once potential specified. l -doubling included π states. contains three adjustable parameters: constant in linear configuration and two terms function, these are determined by fitting experimental quantities: separation between ground 0 resulting has 30.56 cm −1 barrier α = minimum 11.04°, where 2α angular deviation from linearity. gives good fit Raman data centrifugal distortion all nν states which have been analyzed. A similar analysis applied equal success 4 , asymmetric CC stretch 1587 simultaneously excited mode. case 56.58 13.02°.