University of Illinois Urbana-Champaign

Vibronic coupling in the ground state of vinylidene X̃1A1 H2CC

Gibson, Stephen T.

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1012186.pdf
2758.pdf

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https://hdl.handle.net/2142/97096

Description

Title
Vibronic coupling in the ground state of vinylidene X̃1A1 H2CC
Author(s)
Gibson, Stephen T.
Contributor(s)
  • Field, Robert W.
  • Lineberger, Carl
  • Neumark, Daniel
  • Guo, Hua
  • Laws, Benjamin A.
Issue Date
2017-06-20
Keyword(s)
Multiple potential energy surfaces
Date of Ingest
  • 2017-07-27T20:15:43Z
  • 2018-01-29T23:03:34Z
Abstract
begin{wrapfigure}{r}{0pt}_x000d_ includegraphics[scale=.8, clip]{../images/2758_image.eps}_x000d_ end{wrapfigure}_x000d_ The nature of the isomeration process that turns vinylidene H$_2$CC to_x000d_ acetylene HCCH, requiring a 1,2-hydrogen atom shift across the molecule,_x000d_ is a long standing puzzle that has its origin in a 1989 photoelectron_x000d_ measurement of vinylidide (H$_2$CC$^-$)footnote{K. M. Ervin emph{et al.} emph{J. Chem. Phys.}textbf{91} 5974 (1991).}._x000d_ In recent years the photoelectron spectrum of vinylidide has been_x000d_ revisited, using improved experimental techniques, including velocity-map imaging for the detection of photoelectrons, low-temperature near-threshold methods (cryo-SEVI)footnote{J. A. De~Vine emph{et al.} emph{J. Am. Chem. Soc.} textbf{138} 16417 (2016).}, and sophisticated emph{ab inito} calculationsfootnote{L.~Guo emph{et al.} emph{J. Phys. Chem.} textbf{119} 8488 (2015).}. The simple normal-mode structure, 1064~nm velocity-map image illustrated, is proving a challenge to decipher. However, the dramatic change in the photoelectron angular distribution of the inner-ring structure is characteristic of vibronic couplingfootnote{A. Weaver emph{et al.} emph{J. Chem. Phys.} textbf{94} 1740 (1991).}. The lowest electronic state with the correct symmetry, $tilde{B}; ^{1}!B_2$, is 4eV higher in energy.makeatletter{renewcommand*{@makefnmark}{}footnotetext{Research supported by the Australian Research Council Discovery Project Grant DP160102585.}makeatother}
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Permalink
http://hdl.handle.net/2142/97096
DOI
https://doi.org/10.15278/isms.2017.TB08
Copyright and License Information
Copyright 2017 Stephen T. Gibson

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Abstracts & Presentations - 2017 International Symposium on Molecular Spectroscopy PRIMARY