Related Experiment Video
Updated: May 20, 2025

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
Published on: July 19, 2019
Isotope Effect on the Few-Femtosecond Relaxation Dynamics of the Ethylene Cation
Matteo Lucchini1,2, Manuel Cardosa-Gutierrez3, Mario Murari1
1Department of Physics, Politecnico di Milano, 20133 Milano, Italy.
Abstract:
Few-femtosecond extreme-ultraviolet (EUV) pulses with tunable energy are employed to initiate the Jahn-Teller structural rearrangement in the ethylene cation. We report on a combined experimental and theoretical investigation of an unusual isotope effect on the low-energy competing H/D-loss and H2/D2-loss channels observed in the ultrafast dynamics induced by an EUV-pump pulse and probed by an infrared (IR) pulse. The relative production yields of C2D4+, C2D3+, and C2D2+ exhibit pronounced oscillations with a period of ∼50 fs as a function of the pump-probe delay, while the oscillatory patterns are less pronounced for C2H4+. By using surface hopping to model the nonadiabatic dynamics in the four lowest electronic states of the cation, we show that the enhanced oscillations in deuterated fragment yields arise from a synergy between the isotope effects on the wave packet relaxation through the network of conical intersections and on the vibrational frequencies of the cation.
Related Concept Videos
¹H NMR of Labile Protons: Temporal Resolution
The –OH proton in alcohols typically appears in the range of δ 2 to 5 ppm but can vary depending on the...
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution
Inductive Effects on Chemical Shift: Overview
Cycloaddition Reactions: MO Requirements for Photochemical Activation
Atomic Nuclei: Types of Nuclear Relaxation
In spin–lattice or longitudinal relaxation, the excited spins exchange energy with the surrounding lattice as they return to the lower energy level. Among several mechanisms that contribute to spin–lattice relaxation, magnetic dipolar interactions are significant. Here, the excited nucleus transfers...
Mass Spectrometry: Isotope Effect

