Please use this identifier to cite or link to this item:
http://hdl.handle.net/11375/20207
Title: | The Vibrational and Electronic Spectra of Ethynylbenzene |
Authors: | So, Suk Ping |
Advisor: | King, Gerald W. |
Department: | Chemistry |
Keywords: | vibrational, electronic, spectra, ethynylbenzene, excited state, energy |
Publication Date: | May-1969 |
Abstract: | <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> |
URI: | http://hdl.handle.net/11375/20207 |
Appears in Collections: | Open Access Dissertations and Theses |
Files in This Item:
File | Description | Size | Format | |
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So_Suk_P._1969May_Ph.D..pdf | 7.66 MB | Adobe PDF | View/Open |
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