Quantum Engineering of Helical Charge Migration in HCCI

Abstract

Electronic charge of molecules can move on time scales when the nuclei stand practically still, from few hundreds of attoseconds to few femtoseconds. This ultrafast process is called “charge migration”. A typical consequence is rapid change of electronic dipole, which points to the center of charge. Corresponding linear (one-dimensional, 1D) and planar (2D) dipolar motions have already been well documented. Here we construct the first case of charge migration which causes chiral 3D dipolar motion, specifically along a helix about oriented iodo-acetylene (HCCI). Quantum dynamics simulations show that this can be induced by well-designed laser pulses.