Cation Vibrations of 1-Methylnaphthalene and 2-Methylnaphthalene through Mass-Analyzed Threshold Ionization Spectroscopy.
Sheng Yuan TzengVidya S ShivatareWen Bih TzengPublished in: The journal of physical chemistry. A (2019)
Vibrationally resolved cation spectra of 1-methylnaphthalene (1MN) and 2-methylnaphthalene (2MN) were obtained using the two-color resonant two-photon mass-analyzed threshold ionization (MATI) spectroscopy. MATI spectra were obtained through ionization via several intermediate vibronic levels. Due to hindrance effect, no spectral features related to methyl torsion were observed in the MATI spectra of 1MN. By contrast, most of the in-plane ring deformation vibrations of the 2MN cation were found to couple with methyl torsion because of its small internal rotational barrier. These experimental findings were well supported by our theoretical calculations.
Keyphrases
- density functional theory
- room temperature
- ionic liquid
- transition metal
- metal organic framework
- high resolution
- gas chromatography
- single molecule
- molecular dynamics
- magnetic resonance
- optical coherence tomography
- mass spectrometry
- molecular dynamics simulations
- solid state
- magnetic resonance imaging
- computed tomography
- quantum dots
- tandem mass spectrometry