期刊
JOURNAL OF CHEMICAL PHYSICS
卷 145, 期 12, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4962822
关键词
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资金
- EPSRC [EP/L021366/1]
- University of Nottingham
- NSCCS under EPSRC
- Engineering and Physical Sciences Research Council [EP/L021366/1] Funding Source: researchfish
- EPSRC [EP/L021366/1] Funding Source: UKRI
We investigate the low-energy transitions (0-570 cm(-1)) of the S-1 state of para-fluorotoluene (pFT) using a combination of resonance-enhanced multiphoton ionization and zero-kinetic-energy (ZEKE) spectroscopy and quantum chemical calculations. By using various S-1 states as intermediate levels, we obtain ZEKE spectra. The differing activity observed allows detailed assignments to be made of both the cation and S-1 low-energy levels. The assignments are in line with the recently published work on toluene from the Lawrance group [J. R. Gascooke et al., J. Chem. Phys. 143, 044313 (2015)], which considered vibration-torsion coupling in depth for the S-1 state of toluene. In addition, we investigate whether two bands that occur in the range 390-420 cm(-1) are the result of a Fermi resonance; we present evidence for weak coupling between various vibrations and torsions that contribute to this region. This work has led to the identification of a number of misassignments in the literature, and these are corrected. Published by AIP Publishing.
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