Files in this item

FilesDescriptionFormat

application/pdf

application/pdf2758.pdf (110kB)
(no description provided)PDF

Description

Title:VIBRONIC COUPLING IN THE GROUND STATE OF VINYLIDENE X̃ 1A1 H2CC
Author(s):Gibson, Stephen T
Contributor(s):Field, Robert W; Lineberger, Carl; Neumark, Daniel; Guo, Hua; Laws, Benjamin A
Subject(s):Mini-symposium: Multiple Potential Energy Surfaces
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}
Issue Date:6/20/2017
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/97096
DOI:10.15278/isms.2017.TB08
Date Available in IDEALS:2017-07-27


This item appears in the following Collection(s)

Item Statistics