<p> The infrared and Raman spectra of ethynylbenzene-h6, -d1, -d5 and -d6 have been analysed, and the fundamental frequencies assigned.</p> <p> Vibrational analyses of the electronic spectra of ethynylbenzene-h6, -d1, -d5 and -d6 in the 2900-2500 Å region have
been carried out. The transition is identified as an allowed A~1B2<--X~1A1 transition. A very strong "forbidden" component, which borrows intensity from a B~1A1<--X~1A1 transition by vibronic interactions, also appears in the spectrum.</p> <p> Semi-empirical LCAO-SCF-MO-CI calculations predict the lowest singlet excited state to be of B2 symmetry, at an energy
above the ground state close to the experimental values.</p> <p> Rotational band contour analysis substantiates the observation that both A- and B-type bands are present in the
electronic spectrum. Ethynylbenzene remains planar and shows little geometrical change on electronic excitation.</p> / Thesis / Doctor of Philosophy (PhD)
| Identifer | oai:union.ndltd.org:mcmaster.ca/oai:macsphere.mcmaster.ca:11375/20207 |
| Date | 05 1900 |
| Creators | So, Suk Ping |
| Contributors | King, Gerald W., Chemistry |
| Source Sets | McMaster University |
| Language | en_US |
| Detected Language | English |
| Type | Thesis |
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