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Searching for the conformers of n ‐butylbenzene
Author(s) -
Philis John G.,
Kosmidis Constantine
Publication year - 1999
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1999)72:4<341::aid-qua17>3.0.co;2-x
Subject(s) - conformational isomerism , chemistry , mass spectrometry , resonance enhanced multiphoton ionization , ionization , spectral line , mass spectrum , resonance (particle physics) , computational chemistry , photoionization , atomic physics , molecule , physics , organic chemistry , quantum mechanics , ion , chromatography
Resonance‐enhanced multiphoton ionization (REMPI), in a time‐of‐flight mass spectrometer, has been applied to detect the S 1 ← S 0 transition origins of the different n ‐butylbenzene conformers. Three electronic origins have been confirmed at 37,517, 37,578, and 37, 582 cm −1 and therefore n ‐butylbenzene has at least three conformers. The REMPI mass spectra of these conformational isomers are indistinguishable. ©1999 John Wiley & Sons, Inc. Int J Quant Chem 72: 341–345, 1999