Encoding of vinylidene isomerization in its anion photoelectron spectrum
Abstract
Hydrogen migration between adjacent carbons is widespread in the reaction mechanisms of organic chemistry. DeVine et al. used photoelectron spectroscopy to discern the quantum mechanical underpinnings of this 1,2 shift in a prototypical case: conversion of vinylidene (H 2 CC) to acetylene (HCCH). The technique probed specific states of vinylidene by ejecting electrons with varying energies from a negative ion precursor. Experimental data and accompanying theoretical simulations pinpointed a vibrational rocking mode that facilitated the migration. Replacement of hydrogen with its heavier deuterium isotope disrupted this pathway.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Oct 20, 2017
- Source ID
- 10.1126/science.aao1905
Entities
People
- Benjamin Laws
- Changjian Xie
- Christopher L Malbon
- Daniel Neumark
- David R. Yarkony
- Garikoitz Balerdi
- Hua Guo
- Jessalyn A DeVine
- Jianyi Ma
- Jing Chang
- Marissa L Weichman
- Mark C Babin
- Robert W. Field
- Stephen T Gibson
- W. Carl Lineberger
Organizations
- Air Force Office of Scientific Research
- Australian National University
- Australian Research Council
- Complutense University of Madrid
- Johns Hopkins University
- Lawrence Berkeley National Laboratory
- Massachusetts Institute of Technology
- National Natural Science Foundation of China
- National Science Foundation
- Sichuan University
- United States Department of Energy
- University of Colorado
- University of New Mexico
- Yusuf Hamied Department of Chemistry