| People
- Faculty
- Professor:
Donald H. Aue |
| Field(s): |
Organic Chemistry |
 |
| Email: |
aue@chem.ucsb.edu |
| Phone: |
(805)
893-
2643 |
Fax:
(805)
893-
4120 |
| Office: |
2134 Chem |
 |
Selected
Publications |
|
Go
to Research Group website |
| Bio: |
Dr. Aue received his B. Sc. at The Ohio State University and Ph.D. at Cornell University in 1967. He completed postdoctoral research at Columbia University, and joined the UC Santa Barbara faculty in 1968. Dr. Aue has been a visiting professor at the University of Utah and a National Research Council Senior Research Associate at the Environmental Protection Agency. |
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Current
Research
Our research group is involved in a wide variety of studies in physical and synthetic organic chemistry and the application of analytical, physical, and theoretical techniques to significant problems of interest.
We have synthesized theoretically interesting molecules of this type in order to study their unusual physical properties, reactions, reactivity, and mechanisms. For example, the very strained pi-bonds in 1 and 2 make them susceptible to attack by electrophilic reagents. The products of such additions often show the consequence of mechanistically significant rearrangement reactions.
Using several mass spectrometric and GCMS techniques, we are studying the basicity of organic hydrocarbons to determine the stabilities of interesting ions such as 3 and the acidities and basicities of relatively non-volatile biological molecules such as amino acids, peptides and nucleotides. Such gas-phase measurements provide the thermodynamic data needed to determine the effect of solvation on biological molecules.
We are applying new theoretical methods to understand the behavior of the molecules and ions from the studies above. Problems under investigation include NMR coupling constant analysis, analysis of mass spectra and infrared spectra, and the interpretation of ionic stabilities and ionization potentials from photoelectron spectroscopy.
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| Selected
Research Publications |
| "Electron Affinities of Polynuclear Aromatic Hydrocarbons and Negative-Ion Chemical-Ionization Sensitivities" Betowski, L. D.; Enlow, Mark; Aue, Donald H. Int J. Mass Spectrom. 2006, 255-256, 123-129. |
| "Calculation of Electron Affinities of Polycyclic Aromatic Hydrocarbons and Solvation Energies of Their Radical Anions." Betowski, L. D.; Enlow, Mark; Riddick, L.; Aue, Donald H. J. Phys. Chem. A 2006, 110, 12927-12946. |
| "Ab
Initio Calculated Gas-Phase basicities of Polynuclear Aromatic
Hydrocarbons" Donald H. Aue, Michele Guidoni, and L. D.
Betowski Int. J. Mass Scpectrom. 201, 283 2000. |
| "Calculation
of Carbocation Stabilities", Donald H. Aue in Encyclopedia of
Computational Chemistry, Schleyer, P. v. R.; Allinger, N. L.,
Clark, T.; Gasteiger, J.; Kollman, P. A.; Schaefer III, H. F.;
Schreiner, P. R. (Eds.); John Wiley & Sons: Chichester, 1998,
pp. 210-220. |
| "Gas-Phase
Chemistry of Divalent Carbocations", Donald H. Aue in Divalent
Carbocations and Related Species, Z. Rappoport and P.J. Stang,
eds., Academic Press: New York, 1998. |
| "An
Ab Initio Molecular Orbital Study on the Lewis Acid Acidity
of TMSCl and TMS-CN Toward an a,b-Unsaturated Aldehyde: Are
These Acid-Base Interactions Important in Organocuprate 1,4-Additions
to Enones?", Bruce H. Lipshutz, Donald H. Aue, and Brian James,
Tetrahedron Lett., 8471 1996. |
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