Encoding of vinylidene isomerization in its anion photoelectron spectrum-Reference-Cited by-同舟云学术

Encoding of vinylidene isomerization in its anion photoelectron spectrum

Published:2017-10-20 Issue:6361 Volume:358 Page:336-339
ISSN:0036-8075
Container-title:Science
language:en
Short-container-title:Science

Author:

DeVine Jessalyn A.¹,Weichman Marissa L.¹^ORCID,Laws Benjamin²^ORCID,Chang Jing³,Babin Mark C.¹^ORCID,Balerdi Garikoitz⁴^ORCID,Xie Changjian⁵^ORCID,Malbon Christopher L.⁶^ORCID,Lineberger W. Carl⁷^ORCID,Yarkony David R.⁶^ORCID,Field Robert W.⁸^ORCID,Gibson Stephen T.²^ORCID,Ma Jianyi³^ORCID,Guo Hua⁵^ORCID,Neumark Daniel M.¹⁹^ORCID

Affiliation:

1. Department of Chemistry, University of California, Berkeley, CA 94720, USA.

2. Research School of Physics and Engineering, Australian National University, Canberra, ACT 2601, Australia.

3. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, Sichuan 610067, China.

4. Departmento de Química Física, Facultad de Ciencias Químicas, Universidad Complutense de Madrid (Unidad Asociada I+D+I CSIC), 28040 Madrid, Spain.

5. Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, NM 87131, USA.

6. Department of Chemistry, Johns Hopkins University, Baltimore, MD 21218, USA.

7. JILA and Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO 80309, USA.

8. Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.

9. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.

Abstract

The quantum mechanics of a hydrogen hop 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. Science , this issue p. 336

Funder

National Science Foundation

U.S. Department of Energy

Air Force Office of Scientific Research

Australian Research Council

National Natural Science Foundation of China

Publisher

American Association for the Advancement of Science (AAAS)

Subject

Multidisciplinary

Reference62 articles.

1. Direct and sensitized photodecompositions of 1-phenyldiazoethane