CHED 1800 |
| A first principles determination of the formaldehyde photoelectron spectrum is presented as a laboratory accessible to an undergraduate physical chemistry course. The robustness and user-friendliness of software developed for the Franck-Condon factor calculation are shown. While the calculator is suitable for determining multiple types of electronic spectra, the presentation is focused upon the formaldehyde example. Since it is based upon ionization, photoelectron spectroscopy is an intuitively satisfying electronic technique that offers undergraduate students a glimpse into abstract and often confusing concepts such as electronic configuration and vibrational structure. While experimental application of this method is both expensive and challenging, it is ideally suited to theoretical determination. The relative complexity of the formaldehyde spectrum enables a through discussion of spectroscopic assignment. The unique pedagogical advantages of the laboratory are discussed. |
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Bringing Research to the Undergraduate Course Curriculum
8:00 AM-11:20 AM, Thursday, March 29, 2007 McCormick Place North -- Room N227B, Level 2, Oral
Division of Chemical Education |