Abstract
ABSTRACT: Resonance-enhanced multiphoton ionization REMPI , in a time-of-flight.mass spectrometer, has been applied to detect the S 10 ⁄ S transition origins of thedifferent n -butylbenzene conformers. Three electronic origins have been confirmed at37,517, 37,578, and 37, 582 cm y1 and therefore n -butylbenzene has at least threeconformers. The REMPI mass spectra of these conformational isomers areindistinguishable. Q 1999 John Wiley & Sons, Inc. Int J Quant Chem 72: 341]345, 1999 Key words: butylbenzene; conformers; rotamers; multiphoton ionization; fragmentationpattern Introduction T he fragmentation behavior of the n -butyl-benzene ion, C H CH CH CH CH , 1 q . wx]4 65 2223 has a remarkable interest by virtue of its use as astandard for the comparison of different ion disso-ciation experiments. The interest arises because thefragmentation into C H Eq q w ..1 and C H Eqx q w 77 7 8 .2 provides competing pathways which dependxstrongly on the ion internal energy 1wx]14 :C H CH CH CH CH
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