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The state selection and beam focus of linear triatomic molecules (OCS, HCN, ClCN, BrCN and ICN) with doubling states in a hexapole electric field have been numerically realized. The method is based on a quantum mechanical treatment of the molecular Stark energy and a classical mechanical treatment for the molecular trajectory in the field. In linear molecules with doubling states, the second-order Stark effect can be neglected and the doubling states have the same value of J and M. The influences of the molecular properties, state energies, and the apparatus parameters such as molecular beam temperature and length of the hexapole, on the role of state selection and focus have been discussed. The method established here can be taken as a guide for hexapole experiment of orientation of polar molecules.

We express a description of the state-selection role for a polar molecule in a hexapole electrostatic field. By a quantum mechanical treatment of the molecular Stark energy and a classical mechanical treatment for the molecular trajectory in the field, we present the calculated results of the different molecular rotational state selection and beam focus and discuss the influence of the high order Stark effect, the beam speed on the results for the symmetric top molecule CH3CN, CH3I, and the asymmetric top molecule CH2F2 in the hexapole field. The method established and results obtained can be taken as a guide for hexapole state selection and beam focus of polar top molecules.