PHYS 43 |
| Small carbocations are produced from a pulsed-discharge supersonic nozzle source, mass-selected with a customized time-of-flight mass spectrometer, and studied with infrared photodissociation spectroscopy in the 700-4000 cm-1 region. New infared spectra are presented for the protonated acetylene cation and its proton-bridged dimer, the cyclopropenyl and propargyl cations (C3H3+), the allyly and 2-propenyl cations (C3H5+), as well as protonated benzene, toluene and naphthalene. The ions produced vary with the precursor and with the conditions, and isomeric species are identified at several cation stoichiometries. Structures, protonation sites and isomeric species are identified with ab initio (MP2) and density functional theory computations of the measured IR spectra. |
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Computational Spectroscopy
1:20 PM-5:20 PM, Sunday, April 6, 2008 Morial Convention Center -- Rm. 342, Oral
Division of Physical Chemistry |