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University of North Texas

1. Chen, Fu-Tseng Andy. Molecular Dynamics in the Liquid Phase by FT-NMR, FT-IR and Laser Raman Lineshape Analysis.

Degree: 1988, University of North Texas

Nuclear magnetic resonance (NMR) provides a convenient probe for the study of molecular reorientation in liquids because nuclear spin-lattice relaxation times are dependent upon the details of molecular motion. The combined application of Raman and Infrared (IR) lineshape analysis can furnish more complete information to characterize the anisotropic rotation of molecules. Presented here are the studies of NMR relaxation times, together with Raman/IR Mneshape analysis of the solvent and temperature dependence of rotational diffusion in 1,3,5-tribromobenzene and 1,3,5-trifluorobenzene. In these experiments, it was found that the rotational diffusion constants calculated from Perrin's stick model were two to three times smaller than the measured values of D, and D,,. Similarly, rotational diffusion constants predicted by the Hu-Zwanzig slip model were too large by a factor of 2. Application of the newer Hynes-Kapral-Weinberg model furnished rotational diffusion constants that were in reasonable agreement with the experimental results. The vibrational peak frequencies and relaxation times of the isotropic Raman spectra of the υ1 modes of CD2Br2 and CHBr3 were studied in solution. The frequency shifts in non-interactive solvents were explained well on the basis of solution variations in the dispersion energy. In Lewis bases, the displacements were in some, but not all, cases greater than predicted. On the other hand, it was found that the vibrational relaxation times of the C-H/C-D modes decreased dramatically in all Lewis base solvents. Therefore, it was concluded that relaxation times of the υ1 modes, rather than frequency shifts, furnish a more reliable measure of hydrogen bonding interactions of halomethanes in solution. Advisors/Committee Members: Schwartz, Martin, Theriot, L. J., Desiderato, Robert, Conlin, Robert T., Tarter, James G..

Subjects/Keywords: NMR relaxation times; molecular reorientations; rotation diffusion constants; IR lineshape analysis; nuclear magnetic resonance; liquids; Molecular dynamics.; Liquids  – Magnetic properties.; Benzene  – Molecular rotation.; Raman spectroscopy.

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Chen, F. A. (1988). Molecular Dynamics in the Liquid Phase by FT-NMR, FT-IR and Laser Raman Lineshape Analysis. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc330608/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Chen, Fu-Tseng Andy. “Molecular Dynamics in the Liquid Phase by FT-NMR, FT-IR and Laser Raman Lineshape Analysis.” 1988. Thesis, University of North Texas. Accessed August 05, 2020. https://digital.library.unt.edu/ark:/67531/metadc330608/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Chen, Fu-Tseng Andy. “Molecular Dynamics in the Liquid Phase by FT-NMR, FT-IR and Laser Raman Lineshape Analysis.” 1988. Web. 05 Aug 2020.

Vancouver:

Chen FA. Molecular Dynamics in the Liquid Phase by FT-NMR, FT-IR and Laser Raman Lineshape Analysis. [Internet] [Thesis]. University of North Texas; 1988. [cited 2020 Aug 05]. Available from: https://digital.library.unt.edu/ark:/67531/metadc330608/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Chen FA. Molecular Dynamics in the Liquid Phase by FT-NMR, FT-IR and Laser Raman Lineshape Analysis. [Thesis]. University of North Texas; 1988. Available from: https://digital.library.unt.edu/ark:/67531/metadc330608/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

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