Quantitative resonance Raman spectroscopy of N-acetylpyrrolidine in aqueous solution

Journal Article · Thu Aug 05 00:00:00 EDT 1993 · Journal of Physical Chemistry; (United States)

DOI:https://doi.org/10.1021/j100133a008· OSTI ID:6074399

Harhay, G P; Hudson, B S ^[1]

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1. Univ. of Oregon, Eugene (United States)

The resonance Raman spectra of aqueous solutions of N-acetylpyrrolidine are determined at seven excitation frequencies from 40 660 to 53 130 cm[sup [minus]1] spanning the first strong absorption band which is broad and diffuse The resonance Raman spectra are dominated by the single amide II[prime]-like vibration at 1485 cm[sup [minus]1] and its overtones of up to five quanta. Absolute resonance Raman cross sections are determined for these fundamental and overtone transitions at each excitation wavelength by reference to an internal standard of sodium perchlorate. A quantitative analysis of these data and the broad absorption spectrum is made on the basis of a model for the electronic excitation that includes the effects of inhomogeneous broadening. The observation of only a single enhanced vibrational normal mode, with the assumption that there is no Duschinsky rotation upon electronic excitation, makes this a particularly simple case for detailed analysis. A reasonably good fit to the experimental data is obtained using standard assumptions of Lorentzian inhomogeneous broadening and A-term (Condom) Raman scattering. In this fitting procedure, the integrated absorption spectrum determines the transition dipole length. 43 refs., 4 figs., 2 tabs.

• OSTI ID: 6074399
• Journal Information: Journal of Physical Chemistry; (United States), Vol. 97:31; ISSN 0022-3654
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE
PYRROLIDINES
RAMAN SPECTROSCOPY
ABSORPTION SPECTRA
EXPERIMENTAL DATA
MATHEMATICAL MODELS
PERCHLORATES
SOLUTIONS
AMINES
AZOLES
CHLORINE COMPOUNDS
DATA
DISPERSIONS
HALOGEN COMPOUNDS
HETEROCYCLIC COMPOUNDS
INFORMATION
LASER SPECTROSCOPY
MIXTURES
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
OXYGEN COMPOUNDS
PYRROLES
SPECTRA
SPECTROSCOPY
400102* - Chemical & Spectral Procedures
990200 - Mathematics & Computers