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清华大学材料科学与工程研究院《材料科学论坛》:Atomistic modeling of hydrogen ...
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报告题目:
Spectroscopy of Reactive Chemical Intermediates:Experiment and Theory
 报告人:
Prof. Terry A. Miller
Department of Chemistry, Ohio State University
报告时间:
2017-04-17 10:00
报告地点:
清华大学物理系三楼报告厅C302
主办单位:
物理系-莫宇翔教授研究组
  简介:
报告人简历:
• Ph.D. degree in Chemistry at Cambridge University in 1968 and Ohio State University's first Eminent Scholar in 1984.
• The chairman of the OSU International Symposium on Molecular Spectroscopy.
• Editor-in-chief of the Journal of Molecular Spectroscopy and editorial boards for the following journals: Journal of Chemical Physics; Review of Scientific Instruments; Journal of Physical Chemistry; Journal of the Optical Society of America...
 
Abstract:
Few things affect your quality of life more than the air you breathe and the temperature of your immediate environment. Since more than 80% of the energy used in the industrialized world today is still derived from fossil fuels, these two quantities are not unrelated. Most organic molecules injected into the troposphere are degraded via oxidative processes involving free radical intermediates, and many of these intermediates are the same as the ones involved in the combustion of fossil fuels. Modern spectroscopic techniques like laser induced fluorescence (LIF) and cavity ringdown spectroscopy (CRDS) allow the detection, monitoring, and characterization of chemical intermediates involved in both atmospheric and combustion-related oxidation of organic molecules. Relevant species that we have studied include the alkoxy (RO) and peroxy (RO2) families (R=CnH2n+1) of radicals as well as the nitrate radical NO3. Specifically we will describe results from LIF experiments on the near-UV electronic spectra of CH3O, C2H5O, and i-C3H7O and their analysis. Related CRDS experiments and analyses of the Ã-X̃ electronic transition in the near-IR of RO2 radicals and NO3 will be discussed. Both CH3O and NO3 are examples of chemical intermediates whose spectroscopy involves one electronic state subject to Jahn-Teller interactions. The spectral effects of Jahn-Teller interactions will be discussed as will the relationship of spectral observations and electronic structure calculations.
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