title: Quantum Dynamics of Vinylidene Photodetachment on an Accurate Global Acetylene-Vinylidene Potential Energy Surface.
abstract: Vinylidene is a high-energy isomer of acetylene, and the rearrangement of bonds in the two species serves as a prototype for isomerization reactions. Here, a full-dimensional quantum mechanical study of the vinylidene vibration is carried out on a recently developed global acetylene-vinylidene potential energy surface by simulating the photodetachment dynamics of the vinylidene anion. Several low-lying vibrational levels of the anion were first determined on a new ab initio based potential energy surface, and their photoelectron spectra were obtained within the Condon approximation. The vibrational features of the vinylidene isomer are found to agree well with the experiment in both positions and intensities, validating the global acetylene-vinylidene potential energy surface.
authors.affiliation: †Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, Sichuan 610065, China.
authors.forename: Lifen
authors.initials: L
authors.lastname: Guo
authors.affiliation: ‡Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, United States.|§School of Physics, Northwest University, Xi'an, Shaanxi 710069, China.
authors.forename: Huixian
authors.initials: H
authors.lastname: Han
authors.affiliation: †Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, Sichuan 610065, China.
authors.forename: Jianyi
authors.initials: J
authors.lastname: Ma
authors.affiliation: ‡Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, United States.
authors.forename: Hua
authors.initials: H
authors.lastname: Guo