Li Che

TL;DR: The highly sensitive H atom Rydberg tagging time-of-flight method is used to conduct a crossed molecular beam scattering study of the F + H2 → HF + H reaction with full quantum-state resolution, finding pronounced forward-scattered HF products in the v′ = 2 vibrational state.

TL;DR: Excellent agreement is found between multistate, quantum reactive scattering calculations and both the measured energy dependence of the F*/F reactivity ratio and the differential cross sections that confirms the fundamental understanding of the factors controlling electronic nonadiabaticity in abstraction reactions.

TL;DR: This study reports molecular beam experiments, based on hydrogen-atom Rydberg tagging detection, that reveal only a minor role of Cl*, and confirms the ability to simulate accurately chemical reactions on multiple potential energy surfaces.

TL;DR: A global potential energy surface is constructed by using the CCSD(T) method that could predict the correct resonance peak positions as well as the dynamics for both F + H2 → HF + H and F + HD →HF + D, providing an accurate resonance potential for this benchmark system with spectroscopic accuracy.

TL;DR: This study reveals that forward scattering in the reaction channel is not caused by Feshbach or dynamical resonances as in the F + H2 → HF(v′ = 2) + H reaction, but is caused predominantly by the slow-down mechanism over the centrifugal barrier in the exit channel.