Ronald J. Pugmire

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This paper presents a hierarchical cluster analysis of the principal values of the 13 C chemical shift tensors encountered in polycyclic aromatic hydrocarbons (PAHs). Because of the limited set of experimental data presently available, the analysis was performed using chemical shifts tensors calculated using the DFT (B3PW91) GIAO method with a D95 basis set(More)
The principal values of the 13 C chemical-shift tensor (CST) for biphenyl have been determined with the FIREMAT experiment. The internal dihedral angle between the benzene rings in biphenyl is estimated to fall between 10 and 20° on the basis of quantum mechanical calculations of the CST principal values. A composite model of motion in the system, with(More)
We have completed an extensive study of 129 Xe longitudinal spin relaxation in the gas phase, involving both intrinsic and extrinsic mechanisms. The dominant intrinsic relaxation is mediated by the formation of persistent Xe 2 van der Waals dimers. The dependence of this relaxation on applied magnetic field yields the relative contributions of the(More)
A theoretical method for predicting the smoke point of pure hydrocarbon liquids is presented. The method is based on a structural group contributions approach and does not require any experimental procedures or information of fuel properties, other than the molecular structure of the fuel molecules. The proposed correlation is presented in the form of a(More)
This thesis has been read by each member of the following committee and by majority vote has been found to be satisfactory. As chair of the candidate's graduate committee, I have read the thesis of Dominic B. Genetti in its final form and have found that (1) its format, citations, and bibliographical style are consistent and acceptable and fulfill the(More)
Several improvements to the magic angle hopping experiment first introduced by Bax et al. [J. Magn. Reson., 52 (1983) 147] are presented. A dc servo motor driven sample hopping mechanism which requires less than 60 ms to accomplish a 120 degrees sample rotation is described. Modifications to the data acquisition process, including starting the acquisition(More)
1 DISCLAIMER This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information,(More)
The structure of the centrosymmetric title compound, C(8)H(10)O(2), originally determined by Goodwin et al. [Acta Cryst.(1950), 3, 279-284], has been redetermined to modern standards of precision to aid in its use as a model compound for (13)C chemical-shift tensor measurements in single-crystal NMR studies. In the crystal structure, a C-H⋯O inter-action(More)
1 DISCLAIMER This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information,(More)
This dissertation has been read by e a c h member of the following supervisory committee and by majority v ote has been found to be satisfactory. To the Graduate Council of the University o f U t a h : I have read the dissertation of Gary Lee Samuelson, Jr. in its nal form and have found that (1) its format, citations, and bibliographic style are consistent(More)
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