Astronomers, experimentalists and theorists have produced a great deal of research on \nSi<sub><i>n</i></sub>C<sub><i>m</i></sub> species, because of their potential \napplications to astrophysics and the study of Group IV molecules. The present work is \npart of this on-going research and we report here, the synthesis and observation of \nvibrational fundamentals of silicon-carbon species, SiC<sub>5</sub> and \nSiC<sub>5</sub>Si.\nThe infrared spectrum of SiC<sub>5</sub> was observed by trapping the vapor from the \nNd:YAG laser ablation of sintered Si/C rods in solid Ar at ~20 K. Measurements of \n<sup>13</sup>C and <sup>29,30</sup>Si isotopic shifts have enabled the identification \nof the <i>ν</i><sub>4</sub>(<i>σ</i>) vibrational fundamental of the linear \nisomer of SiC<sub>5</sub>Si at 936.9 ± 0.2 cm<sup>−1</sup>. The observed \nisotopic shifts are in excellent agreement with the predictions of DFT (density \nfunctional theory) calculations at the B3LYP/cc-pVDZ level.\nSiC<sub>5</sub>Si was produced using argon matrix trapping and Nd:YAG laser ablation \nof a sintered 30% Si/ 70% <sup>12</sup>C rod in solid Ar at ~20 K. The <sup>13</sup>C \nand <sup>29,30</sup>Si isotopic shifts were observed, and upon comparison with the \ncalculations of DFT-B3LYP/cc-pVDZ, are in excellent agreement. This leads to a \nconfident identification of the ν<sub>5</sub>(<i>σ<sub>u</sub></i>) \nfundamental of linear SiC<sub>5</sub>Si at 1590.8 ± 0.2 cm<sup>-1</sup>. A second \nfundamental, ν<sub>4</sub>(<i>σ<sub>u</i></sub>), can only be tentatively \nidentified at 2021.0 cm<sup>-1</sup> because near-lying absorptions belonging to other \nspecies overlap its isotopic shift pattern.
| Identifer | oai:union.ndltd.org:TCU/oai:etd.tcu.edu:etd-05132014-111659 |
| Date | 13 May 2014 |
| Creators | Le, Tina Huong |
| Contributors | William R.M. Graham, Magnus L. Rittby, Waldek Zerda, Peter Frinchaboy, Hana Dobrovolny |
| Publisher | Texas Christian University |
| Source Sets | Texas Christian University |
| Language | English |
| Detected Language | English |
| Type | text |
| Format | application/pdf, application/octet-stream |
| Source | http://etd.tcu.edu/etdfiles/available/etd-05132014-111659/ |
| Rights | unrestricted, I hereby certify that, if appropriate, I have obtained and attached hereto a written permission statement from the owner(s) of each third party copyrighted matter to be included in my thesis, dissertation, or project report, allowing distribution as specified below. I certify that the version I submitted is the same as that approved by my advisory committee. I hereby grant to TCU or its agents the non-exclusive license to archive and make accessible, under the conditions specified below, my thesis, dissertation, or project report in whole or in part in all forms of media, now or hereafter known. I retain all other ownership rights to the copyright of the thesis, dissertation or project report. I also retain the right to use in future works (such as articles or books) all or part of this thesis, dissertation, or project report. |
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