Far-infrared synchrotron-based spectroscopy of proton tunnelling in malonaldehyde
| dc.contributor.advisor | Tokaryk, Dennis | |
| dc.contributor.advisor | Ross, Stephen | |
| dc.contributor.author | Goudreau, Edward Scott | |
| dc.date.accessioned | 2023-03-01T16:36:57Z | |
| dc.date.available | 2023-03-01T16:36:57Z | |
| dc.date.issued | 2016 | |
| dc.date.updated | 2023-03-01T15:02:51Z | |
| dc.description.abstract | Although the internally hydrogen-bonded species malonaldehyde (C3O2H4) is considered an important prototype molecule for intramolecular proton transfer, its far-IR spectrum is not well understood. Using high-resolution spectra obtained from the Canadian Light Source synchrotron in Saskatoon, Saskatchewan, I have made significant progress in understanding its low-energy vibrational structure. A new rotational characterization of the vibrational ground state tunnelling-split pair is presented here, which benefits from these new IR measurements covering a more complete range of rotational parameter space than was reported previously. Full rotational analyses have been performed for three low-energy vibrational states at 241, 390, and 405 cm-1 and these states (as well as states at 273 and 282 cm-1) have been conclusively matched to early microwave measurements [W. F. Rowe, Ph.D. Thesis, Harvard University, 1975]. Progress has been made toward developing a theoretical treatment of malonaldehyde using the Generalized Semi-Rigid Bender Hamiltonian to describe the large-amplitude tunnelling motion. | |
| dc.description.copyright | © Edward Scott Goudreau, 2016 | |
| dc.description.note | Supplementary material for this thesis is provided in the document 'Supplementary material for "Far-infrared synchrotron-based spectroscopy of proton tunnelling in malonaldehyde"' found at https://unbscholar.lib.unb.ca/islandora/object/unbscholar%3A7951. | |
| dc.format | text/xml | |
| dc.format.extent | xi, 125 pages | |
| dc.format.medium | electronic | |
| dc.identifier.uri | https://unbscholar.lib.unb.ca/handle/1882/14209 | |
| dc.language.iso | en_CA | |
| dc.publisher | University of New Brunswick | |
| dc.rights | http://purl.org/coar/access_right/c_abf2 | |
| dc.subject.discipline | Physics | |
| dc.title | Far-infrared synchrotron-based spectroscopy of proton tunnelling in malonaldehyde | |
| dc.type | master thesis | |
| thesis.degree.discipline | Physics | |
| thesis.degree.fullname | Master of Science | |
| thesis.degree.grantor | University of New Brunswick | |
| thesis.degree.level | masters | |
| thesis.degree.name | M.Sc. |
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