Infrared spectroscopy of gas phase C3H5+ : the allyl and 2-propenyl cations

The Journal of Chemical Physics
G E DouberlyM A Duncan

Abstract

C3H5+ cations are probed with infrared photodissociation spectroscopy in the 800-3500 cm(-1) region using the method of rare gas tagging. The ions and their complexes with Ar or N2 are produced in a pulsed electric discharge supersonic expansion cluster source. Two structural isomers are characterized, namely, the allyl (CH2CHCH2+) and 2-propenyl (CH3CCH2+) cations. The infrared spectrum of the allyl cation confirms previous theoretical and condensed phase studies of the C(2nu) charge delocalized, resonance-stabilized structure. The 2-propenyl cation spectrum is consistent with a C(s) symmetry structure having a nearly linear CCC backbone and a hyperconjugatively stabilizing methyl group.

References

Dec 26, 2001·Chemical Reviews·E J Bieske, O Dopfer
Mar 11, 2003·Annual Review of Physical Chemistry·William H Robertson, Mark A Johnson
May 12, 2007·The Journal of Chemical Physics·Xi XingG Barney Ellison
Dec 14, 2007·Physical Chemistry Chemical Physics : PCCP·Gary E DouberlyMichael A Duncan

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Citations

Jul 10, 2009·The Journal of Chemical Physics·Michael GasserPeter Chen
Feb 9, 2010·The Journal of Chemical Physics·Allen M RicksMichael A Duncan
Jun 3, 2010·The Review of Scientific Instruments·Travis M FalconerGary L Glish
Jul 17, 2014·The Journal of Chemical Physics·J D MosleyM A Duncan
Oct 4, 2016·The Journal of Organic Chemistry·Zhe LiWeston Thatcher Borden
Nov 9, 2016·The Journal of Chemical Physics·D T MauneyM A Duncan
Jan 18, 2018·Angewandte Chemie·Martin Andreas Robert GeorgeOtto Dopfer
Apr 1, 2019·The Journal of Chemical Physics·T TrabelsiJ S Francisco
Jan 18, 2013·Physical Chemistry Chemical Physics : PCCP·Marco SavocaOtto Dopfer
Jun 29, 2021·ACS Omega·Evgenii S StoyanovIrina V Stoyanova
Apr 15, 2011·Organic Letters·Jos Oomens, Thomas Hellman Morton
Jul 20, 2012·Journal of the American Chemical Society·Timothy C ChengMichael A Duncan
Sep 29, 2011·The Journal of Physical Chemistry. a·Otto DopferNicola Solcà
Apr 30, 2013·Journal of the American Chemical Society·Vladimir MišićThomas Bally
Nov 8, 2012·The Journal of Physical Chemistry. a·Michael A Duncan
Sep 6, 2012·The Journal of Physical Chemistry. a·J D MosleyM A Duncan
Jun 9, 2012·The Journal of Physical Chemistry. a·B BandyopadhyayM A Duncan
Nov 18, 2014·The Journal of Physical Chemistry. a·Juraj JašíkJana Roithová
Sep 28, 2021·ACS Omega·Evgenii S StoyanovIrina V Stoyanova

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Methods Mentioned

BETA
NMR

Software Mentioned

GAMESS

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