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A conformational study of (1S, 2R, 5S)-(+)-menthol using vibrational circular dichroism spectroscopy

Article Abstract:

Predicted and experimental absorption and vibrational circular dichroism (VCD) spectra of (1S, 2R, 5S)-(+)-menthol have been studied from the perspective of conformational analysis. Harmonic force fields and atomic polar tensors (APTs) for 10 conformers were found using density functional theory (DFT) with the Becke3LYP functional and the 6-31G** basis set. Vibronic coupling theory (VCT) was used to predict VCD intensities. Predictions of VCD spectra and absorption based on an equilibrium mixture of conformers agreed with experimental data. That result indicates reasonable frequency and geometry analysis of each of the conformers.

Author: Wieser, Hal, Rauk, Arvi, McCann, Jennifer L.
Publisher: NRC Research Press
Publication Name: Canadian Journal of Chemistry
Subject: Chemistry
ISSN: 0008-4042
Year: 1998
Conformational analysis, Vibrational spectra, Menthol

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Ultrasensitive chemical analysis by Raman spectroscopy

Article Abstract:

A discussion of ultrasensitive Raman detection based on surface-enhanced Raman scattering is presented. It is suggested that screening of single molecules in very small volumes using a mixture of scanning near-field microscopy and surface-enhanced Raman scattering offers interesting opportunities for future work on microinstrumentation for identifying single molecules in small volumes.

Author: Itzkan, Irving, Dasari, Ramachandra R., Feld, Michael S., Kneipp, Katrin, Kneipp, Harald
Publisher: American Chemical Society
Publication Name: Chemical Reviews
Subject: Chemistry
ISSN: 0009-2665
Year: 1999
Raman spectroscopy

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Coherent excitation of vibrational modes in metallic nanoparticles

Article Abstract:

The steady-state and time-resolved electronic spectroscopy of metal particles, which is necessary for understanding the reason behind the appearance of vibrational motion in transient absorption traces, are presented. Excitation of metallic nanoparticles with an ultrafast laser pulse has resulted in rapid heating of the lattice mediated by electron-phonon coupling.

Author: Hartland, Gregory V.
Publisher: Annual Reviews, Inc.
Publication Name: Annual Review of Physical Chemistry
Subject: Chemistry
ISSN: 0066-426X
Year: 2006
Laser pulses, Ultrashort, Ultrashort laser pulses, Phonons

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Subjects list: Analysis, Usage
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