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Photoelectron circular dichroism refers to the forward/backward asymmetry inthe photoelectron angular distribution with respect to the propagation axis ofcircularly polarized light. It has recently been demonstrated in femtosecondmulti-photon photoionization experiments with randomly oriented camphor andfenchone molecules [C. Lux et al., Angew. Chem. Int. Ed. 51, 5001 (2012);C. S.Lehmann et al., J. Chem. Phys. 139, 234307 (2013)]. A theoretical frameworkdescribing this process as (2+1) resonantly enhanced multi-photon ionization isconstructed, which consists of two-photon photoselection from randomly orientedmolecules and successive one-photon ionisation of the photoselected molecules.It combines perturbation theory for the light-matter interaction with ab initiocalculations for the two-photon absorption and a single-center expansion of thephotoelectron wavefunction in terms of hydrogenic continuum functions. It isverified that the model correctly reproduces the basic symmetry behaviorexpected under exchange of handedness and light helicity. When applied it tofenchone and camphor, semi-quantitative agreement with the experimental data isfound, for which a sufficient d wave character of the electronically excitedintermediate state is crucial.

journal of chemical physics online/the journal of chemical physics/journal of chemical physics

Theoretical description of circular dichroism in photoelectron angular  distributions of randomly oriented chiral molecules after multi-photon  photoionization