Characterization of cyclic and linear C3H- and C3H via anion photoelectron spectroscopy

The Journal of Chemical Physics
Sean M SheehanDaniel M Neumark

Abstract

Anion photoelectron spectroscopy of C3H- and C3D- is performed using both field-free time-of-flight and slow electron velocity-map imaging. We observe and assign transitions originating from linear/bent (l-C3H) and cyclic (c-C3H) anionic isomers to the corresponding neutral ground states and low-lying excited states. Transitions within the cyclic and linear manifolds are distinguished by their photoelectron angular distributions and their intensity dependence on the neutral precursor. Using calculated values for the energetics of the neutral isomers [Ochsenfeld et al., J. Chem. Phys. 106, 4141 (1997)], which predict c-C3H to lie 74 meV lower than l-C3H, the experimental results establish c-C3H- as the anionic ground state and place it 229 meV below l-C3H-. Electron affinities of 1.999+/-0.003 and 1.997+/-0.005 eV are determined for C3H and C3D from the X 2B2<--X 1A1 photodetachment transition of c-C3H. Term energies for several low-lying states of c-C3H and l-C3H are also determined. Franck-Condon simulations are used to make vibrational assignments for the bands involving c-C3H. Simulations of the l-C3H bands were more complicated owing to large amplitude bending motion and, in the case of the neutral A 2Pi state, strong Renne...Continue Reading

References

Jul 1, 1985·The Astrophysical Journal·P ThaddeusR A Linke
Sep 28, 2004·The Journal of Chemical Physics·Andreas OsterwalderDaniel M Neumark

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Citations

May 10, 2008·The Journal of Chemical Physics·Sean M SheehanDaniel M Neumark
Mar 26, 2008·The Journal of Chemical Physics·Scott J GoncherDaniel M Neumark
Jun 3, 2010·The Review of Scientific Instruments·Vitali Zhaunerchyk
Jan 7, 2014·The Review of Scientific Instruments·V Rudnev, A González Ureña
Nov 2, 2015·The Review of Scientific Instruments·Magnus SchlösserÁngel González Ureña
Aug 30, 2008·Physical Chemistry Chemical Physics : PCCP·Christoph GrossIngo Fischer
Nov 19, 2008·Physical Chemistry Chemical Physics : PCCP·Chris J Hammond, Katharine L Reid
Aug 18, 2010·Physical Chemistry Chemical Physics : PCCP·Luca CastiglioniDaniel M Neumark
Oct 31, 2019·Physical Chemistry Chemical Physics : PCCP·C M R Rocha, A J C Varandas
Jul 23, 2009·Chemical Society Reviews·Richard MabbsAndrei Sanov
Nov 27, 2008·The Journal of Physical Chemistry. a·Daniel M Neumark
Mar 19, 2011·The Journal of Physical Chemistry. a·M TulejJ P Maier

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Methods Mentioned

BETA
infrared spectroscopy
electron collection

Software Mentioned

MCCEPA
EOMIP
PESCAL
MRCI
SEVI
EOIMP

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