Resonance Raman study of the solvation of p-nitroaniline in supercritical water

T. Fujisawa, M. Terazima, Y. Kimura, Mark Maroncelli

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

Resonance Raman spectra of p-nitroaniline (pNA) have been measured in various states of water. The relative intensities of two bands assigned to the NO2 stretching mode show a large temperature dependence along the 30.4 MPa isobar between ambient temperature and 669 K. Along the supercritical isotherm at 668.5 K, the higher frequency band shifts by 8 cm-1 over the accessible density range (0.3-1.7ρc). We also performed density-functional calculations of the Raman spectra of water clusters of pNA. The calculated changes in electronic structure and Raman spectra with cluster size are used to rationalize these experimental observations.

Original languageEnglish (US)
Pages (from-to)303-308
Number of pages6
JournalChemical Physics Letters
Volume430
Issue number4-6
DOIs
StatePublished - Oct 30 2006

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Solvation
solvation
Raman scattering
Raman spectra
Water
water
isobars
Frequency bands
ambient temperature
Stretching
Electronic structure
Density functional theory
Isotherms
isotherms
electronic structure
Temperature
temperature dependence
shift
4-nitroaniline

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Fujisawa, T. ; Terazima, M. ; Kimura, Y. ; Maroncelli, Mark. / Resonance Raman study of the solvation of p-nitroaniline in supercritical water. In: Chemical Physics Letters. 2006 ; Vol. 430, No. 4-6. pp. 303-308.
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Resonance Raman study of the solvation of p-nitroaniline in supercritical water. / Fujisawa, T.; Terazima, M.; Kimura, Y.; Maroncelli, Mark.

In: Chemical Physics Letters, Vol. 430, No. 4-6, 30.10.2006, p. 303-308.

Research output: Contribution to journalArticle

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