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Neutralization-reionization study of C6H6O isomers

✍ Scribed by Frantisek Turecek; Donald E. Drinkwater; Andre Maquestiau; Fred W. McLafferty

Book ID: 102557025
Publisher: John Wiley and Sons
Year: 1989
Tongue: English
Weight: 390 KB
Volume: 24
Category: Article
ISSN: 1076-5174
DOI: 10.1002/oms.1210240825

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✦ Synopsis

Neutralizatio~reionization (+NR+) mass spectrometry is employed to examine the behavior of C,H,O isomers in the gas phase. Phenol and cyciohexa-2,4-dienone are found not to interconvert following neutralization with mercury of their corresponding cation radicals at 9.9 keV kinetic energy. A very low extent of isomerization is observed following collisional activation of fast C,H,O neutrals with helium. The +NR+ and collisionally activated dissociation spectra, the latter obtained at unit mass resolution, are used to identify these [C6H60]+' isomers. Hexa-l,3,ltrienal is found to cyclize spontaneously to cyclohexa-2,4-dienone during attempted pyrolytic prep aration. The thermochemistry of these C,H,O molecules and cation radicals is discussed on the basis of experimental data and MNDO calculations.

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