Probing Two-Photon Molecular Properties with Surface-Enhanced Hyper-Raman Scattering: A Combined Experimental and Theoretical Study of Crystal Violet

Hubert K. Turley, Zhongwei Hu, Daniel W. Silverstein, David A. Cooper, Lasse Jensen, Jon P. Camden

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

The surface-enhanced hyper-Raman scattering spectra of crystal violet are experimentally measured and theoretically calculated for excitation energies spanning the two lowest-lying electronic states (12,700-27,400 cm-1). The theory and experiment are in qualitative agreement over the measured energy range, indicating that first-principles calculations capture many of the complex resonance contributions in this prototypical octupolar system. The discrepancies between theory and experiment are investigated by comparing spectra obtained in different local environments as well as from higher-order surface-enhanced spectroscopies. A comparison between relative surface-enhanced hyper-Raman scattering band ratios plotted as a function of excitation wavelength and crystal violet's absorption spectra elucidates correlations between groups of vibrations and the excited-electronic states. Our results suggest that the spectral features across the range of resonance excitation energies (∼15,500-27,400 cm-1) are dominated by strong A-term scattering.

Original languageEnglish (US)
Pages (from-to)20936-20942
Number of pages7
JournalJournal of Physical Chemistry C
Volume120
Issue number37
DOIs
StatePublished - Sep 22 2016

Fingerprint

Gentian Violet
molecular properties
Raman scattering
Photons
Excitation energy
Electronic states
Raman spectra
Crystals
photons
excitation
crystals
electronics
energy
Absorption spectra
Experiments
Spectroscopy
Scattering
absorption spectra
Wavelength
vibration

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

Cite this

Turley, Hubert K. ; Hu, Zhongwei ; Silverstein, Daniel W. ; Cooper, David A. ; Jensen, Lasse ; Camden, Jon P. / Probing Two-Photon Molecular Properties with Surface-Enhanced Hyper-Raman Scattering : A Combined Experimental and Theoretical Study of Crystal Violet. In: Journal of Physical Chemistry C. 2016 ; Vol. 120, No. 37. pp. 20936-20942.
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Probing Two-Photon Molecular Properties with Surface-Enhanced Hyper-Raman Scattering : A Combined Experimental and Theoretical Study of Crystal Violet. / Turley, Hubert K.; Hu, Zhongwei; Silverstein, Daniel W.; Cooper, David A.; Jensen, Lasse; Camden, Jon P.

In: Journal of Physical Chemistry C, Vol. 120, No. 37, 22.09.2016, p. 20936-20942.

Research output: Contribution to journalArticle

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T1 - Probing Two-Photon Molecular Properties with Surface-Enhanced Hyper-Raman Scattering

T2 - A Combined Experimental and Theoretical Study of Crystal Violet

AU - Turley, Hubert K.

AU - Hu, Zhongwei

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AU - Cooper, David A.

AU - Jensen, Lasse

AU - Camden, Jon P.

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AB - The surface-enhanced hyper-Raman scattering spectra of crystal violet are experimentally measured and theoretically calculated for excitation energies spanning the two lowest-lying electronic states (12,700-27,400 cm-1). The theory and experiment are in qualitative agreement over the measured energy range, indicating that first-principles calculations capture many of the complex resonance contributions in this prototypical octupolar system. The discrepancies between theory and experiment are investigated by comparing spectra obtained in different local environments as well as from higher-order surface-enhanced spectroscopies. A comparison between relative surface-enhanced hyper-Raman scattering band ratios plotted as a function of excitation wavelength and crystal violet's absorption spectra elucidates correlations between groups of vibrations and the excited-electronic states. Our results suggest that the spectral features across the range of resonance excitation energies (∼15,500-27,400 cm-1) are dominated by strong A-term scattering.

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