Sum frequency generation spectroscopy and molecular dynamics simulations reveal a rotationally fluid adsorption state of α-pinene on silica
A rotationally fluid state of α-pinene at fused silica/vapor interfaces is revealed by
computational and experimental vibrational sum frequency generation (SFG) studies. We
report the first assignment of the vibrational modes in the notoriously congested C–H
stretching region of α-pinene and identify its bridge methylene group on the four-membered
ring (“βCH2”) as the origin of its dominant spectral feature. We find that the spectra are
perfused with Fermi resonances that need to be accounted for explicitly in the computation …
computational and experimental vibrational sum frequency generation (SFG) studies. We
report the first assignment of the vibrational modes in the notoriously congested C–H
stretching region of α-pinene and identify its bridge methylene group on the four-membered
ring (“βCH2”) as the origin of its dominant spectral feature. We find that the spectra are
perfused with Fermi resonances that need to be accounted for explicitly in the computation …
[引用][C] Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulations Reveal a Rotationally Fluid Adsorption State of α-Pinene on Silica
H Junming, R Benjamin, UM Alice, F Li, W Hong-Fei - 2016
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