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Academic staff: Timothy Schmidt

Senior Lecturer

Address:

School of Chemistry, Building F11
The University of Sydney, NSW, 2006, Australia
E-mail address: t.schmidt@chem.usyd.edu.au
Telephone: +61 2 9351 2781
Fax: +61 2 9351 3329
Home Page: http://www.chem.usyd.edu.au/~schmidtt

Career Profile:

  • BSc (Hons 1M), University of Sydney, 1997.

  • PhD, Churchill College, University of Cambridge, United Kingdom, 2001.

  • Postdoctoral Researcher, Institut für Physikalische Chemie der Universität Basel, Switzerland, 2001-2003.

  • Research Scientist, CSIRO Telecommunications and Industrial Physics, 2003-2004.

  • Lecturer, University of Sydney 2004-2007

  • Senior Lecturer, University of Sydney 2008 -

Areas of interest:

  • Laser spectroscopy of extraterrestrial molecules

  • Interstellar chemistry

  • Spectroscopy of carbon rich nebulae

  • Quantum chemical methods and electronic structure

Research:

My research straddles many areas of physical and theoretical chemistry. I am fundamentally interested in molecular spectroscopy, that is - in what way molecules absorb light and what are the consequences? Closely linked to this question is the desire to understand and model these processes at a theoretical level.

In addition to the fundamental knowledge gained in studying the electronic and vibrational spectra of a given molecule, the information extracted may be applied to answer broader scientific questions. Two applications of molecular spectroscopy that I am interested in are the identification of interstellar molecules (and therefore obtaining a greater understanding of interstellar chemical processes) and the study of conjugated molecules which are incorporated into molecular electronic components.

Our studies of interstellar spectroscopy led us to discover the C2 radical in the Red Rectangle nebula. We are currently investigating the photophysics of C2 in some detail in order to develop C2 spectroscopy as a probe of extraterrestrial environments. Our laboratory studies of C2 have led to the first direct observation of the c3Su+ state of C2. In doing so we observed the c-d band system of C2 for the first time.

In order to understand electronic spectra of exotic species such as those pictured, calculations must be performed. I am interested in the development and application of quantum mechanical methods for predicting the electronic spectra of various molecules.

Publications (2007 to 2009):

  1. Reilly, NJ; Nakajima, M; Troy, TP; Kokkin, DL; Chalyavi, N; Duncan, K; Nauta, K; Sharp, RG; Schmidt, TW and Kable, SH. Two-dimensional fluorescence spectroscopy for the identification of discharge intermediates. The 8th Asian International Seminar on Atomic and Molecular Physics, University of Western Australia, 24-28 November, 2008. Journal of Physics: Conference Series, 185, 012037 (4pp), 2009. DOI: 10.1088/1742-6596/185/1/012037

  2. Auckett, JE; Cheng, YY; Khoury, T; Clady, RGCR; Ekins-Daukes, NJ; Crossley, MJ and Schmidt, TS. Efficient up-conversion by triplet-triplet annihilation. The 8th Asian International Seminar on Atomic and Molecular Physics, University of Western Australia, 24-28 November, 2008. Journal of Physics: Conference Series, 185, 012037 (4pp), 2009. DOI: 10.1088/1742-6596/185/1/012002

  3. Glinski, RJ; Michaels, PD; Anderson, CD; Schmidt, TW; Sharp, RG; Sitko, ML; Bernstein, LS and Van Winckel, H. Current assessment of the Red Rectangle band problem. Astrophys. Space Sci., 323 (4), 337-344, 2009. DOI: 10.1007/s10509-009-0084-9

  4. Nakajima, M; Schmidt, TW; Sumiyoshi, Y and Endo, Y. An experimental and theoretical study on vibrational structure in the (B)over-tilde-(X)over-tilde transition of CH2CHS. The Journal of Chemical Physics, 131 (10), 104310/1-7, 2009. DOI: 10.1063/1.3224146

  5. Troy, TP; Nakajima, M; Chalyavi, N; Clady, RGCR; Nauta, K; Kable, SH and Schmidt, TW. Identification of the jet-cooled 1-indanyl radical by electronic spectrscopy. J. Phys. Chem. A, 113 (38), 10279-10283, 2009. DOI: 10.1021/jp905831m

  6. Reilly, NJ; Nakajima, M; Troy, TP; Chalyavi, N; Duncan, KA; Nauta, K; Kable, SH and Schmidt, TW. Spectroscopic identification of the resonance-stabilized cis- and trans-1-vinylpropargyl radicals. J. Am. Chem. Soc., 131 (37), 13423-13429, 2009. DOI: 10.1021/ja904521c

  7. Nakajima, M; Joester, JA; Page, NI; Reilly, NJ; Bacskay, GB; Schmidt, TW and Kable, SH. Quantum chemical study and experimental observation of a new band system of C2, e 3Pig-c 3Sigma+u . Journal of Chemical Physics, 131 (4), 044301, 2009. DOI: 10.1063/1.3175013

  8. Reilly, NJ; Nakajima, M; Gibson, BA; Schmidt, TW and Kable, SH. Laser-induced fluorescence and dispersed fluorescence spectroscopy of jet-cooled 1-phenylpropargyl radical. Journal of Chemical Physics, 130 (14), 144313, 2009. DOI: 10.1063/1.3110682

  9. Reilly, NJ; Nakajima, M; Gibson, BA; Schmidt, TW and Kable, SH. Publisher's note: Laser-induced fluorescence and dispersed fluorescence spectroscopy of jet-cooled 1-phenylpropargyl radical. Journal of Chemical Physics, 131 (2), 029902, 2009. DOI: 10.1063/1.3171934

  10. Schmidt, TW; Pino, T and Brechignac, P. The C-H stretch intensities of polycyclic aromatic hydrocarbon cations. Origins and astrophysical implications. Journal of Physical Chemistry A, 113 (15), 3434-3541, 2009. DOI: 10.1021/jp900931e

  11. Nakajima, M; Schmidt, TW; Miyoshi, A; Sumiyoshi, Y and Endo, Y. Gas-phase spectroscopy of the 2 3Sigma(-)-X 3Sigma(-) electronic transition of CCS. Journal of Chemical Physics, 130 (1), 014302, 2009. DOI: 10.1063/1.3042269

  12. Richmond, C; Tao, C; Mukarakate, C; Fan, H; Nauta, K; Schmidt, TW; Kable, SH and Reid, SA. Unraveling the Ã1B1<-- (X)over-tilde1A1) spectrum of CCl2: The Renner-Teller effect, barrier to linearity, and vibrational analysis using an effective polyad Hamiltonian. Journal of Physical Chemistry A, 112 (45), 11355-11362, 2008. DOI: 10.1021/jp806944q

  13. Ekins-Daukes, NJ and Schmidt, T. A molecular approach to the intermediate band solar cell: The symmetric case. Applied Physics Letters, 93 (6), 063507, 2008. DOI: 10.1063/1.2970157

  14. Kokkin, DL; Troy, TP; Nakajima, M; Nauta, K; Varberg, TD; Metha, GF; Lucas, NT and Schmidt, TW. The optical spectrum of a large isolated polycyclic aromatic hydrocarbon: Hexa-peri-hexabenzocoronene, C42H18. Astrophysical Journal Letters, 681 (1), L49-L51, 2008.

  15. Reilly, NJ; Kokkin, DL; Nakajima, M; Nauta, K; Kable, SH and Schmidt, TW. Spectroscopic observation of the resonance-stabilized 1-phenylpropargyl radical. Journal of the American Chemical Society, 130 (10), 3137-3142, 2008. DOI: 10.1021/ja078342t

  16. Schmidt, TW and Bacskay, GB. Oscillator strengths of the Mulliken, Swan, Ballik-Ramsay, Phillips, and d3Pi(g)<-- c3Sigma(+)(u) systems of C2 calculated by MRCI methods utilizing a biorthogonal transformation of CASSCF orbitals. Journal of Chemical Physics, 127 (23), 234310, 2007. DOI: 10.1063/1.2806988

  17. Nakajima, M; Schmidt, TW; Sumiyoshi, Y and Endo, Y. Rotationally-resolved excitation spectrum of the jet-cooled cyclohexadienyl radical. Chemical Physics Letters, 449 (1-3), 57-62, 2007. DOI: 10.1016/j.cplett.2007.10.051

  18. Joester, JA; Nakajima, M; Reilly, NJ; Kokkin, DL; Nauta, K; Kable, SH and Schmidt, TW. The d 3Pig-c 3Sigma+u band system of C2. Journal of Chemical Physics, 127 (21), 214303, 2007. DOI: 10.1063/1.2805090

  19. Butler, P; Moss, DB; Yin, H; Schmidt, TW and Kable, SH. Spectroscopy of the Ã(1B2)-(X)over-tilde(1A1) transition of jet-cooled fluorobenzene: Laser-induced fluorescence, dispersed fluorescence, and pathological Fermi resonances Journal of Chemical Physics, 127 (9), 094303, 2007. DOI: 10.1063/1.2759931

  20. Yin, HM; Heazlewood, BR; Stamford, NPJ; Nauta, K; Bacskay, GB; Kable, SH and Schmidt, TW. Laser-induced fluorescence spectrum of 3-vinyl-1H-indene. Journal of Physical Chemistry A, 111 (17), 3306-3312, 2007. DOI: 10.1021/jp068844d

  21. Gillieron, C; Sharma, N; Nauta, K and Schmidt, TW. Structure of the naphthalene dimer from rare gas tagging. Journal of Physical Chemistry A, 111 (20), 4211-4214, 2007. DOI: 10.1021/jp0687504

  22. Kokkin, DL; Bacskay, GB and Schmidt, TW. Oscillator strengths and radiative lifetimes for C2: Swan, Ballik-Ramsay, Phillips, and d 3Pi(g)<-- c 3Sigma(+)(u) systems. Journal of Chemical Physics, 126 (8), 084302, 2007. DOI: 10.1063/1.2436879

  23. Kokkin, DL; Reilly, NJ; Troy, TP; Nauta, K and Schmidt, TW. Gas phase spectra of all-benzenoid polycyclic aromatic hydrocarbons: Triphenylene. Journal of Chemical Physics, 126 (8), 084303, 2007. DOI: 10.1063/1.2484344

  24. Tao, C; Reid, SA; Schmidt, TW and Kable, SH. Observation of the predissociated, quasilinear (B)over-tilde(1A') state of CHF by optical-optical double resonance. Journal of Chemical Physics, 126 (5), 051105, 2007. DOI: 10.1063/1.2515273
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