Vibrational effects on UV/Vis laser-driven π-electron ring currents in aromatic ring molecules

摘要: Abstract We present the results of a theoretical study vibrational effects on UV/Vis laser-driven π -electron ring currents in aromatic molecules. consider both coherent and non-coherent (single quantum state) currents. The current originates from an excitation pair quasi-degenerate electronic states by ultrashort linearly polarized laser pulse, while degenerated state molecule with high symmetry circularly electric field pulse. magnitude generated can be expressed as average those bond for cases. derive analytical expression adiabatic approximation. Using expression, we performed calculations optically allowed excited ( 1 E U ) benzene time evolution P )-2,2-biphenol. Vibrational were found to negligibly small. paid particular attention induced torsion mode along bridging between two rings By comparing that frozen-nuclear approximation, inclusion low-frequency brings about modulations beating current. brought contribution several pairs coherently vibronic states. Coherent interfere each other. existence relatively large potential displacement Temperature time-dependent also investigated.