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time-resolved resonance raman and density function theory study of selective photosensitive compounds

mingyue - Posted on 10 April 2012

Project Description: 

Nanosecond time-resolved resonance Raman spectroscopy (ns-TR3), nanosecond transient absorption (ns-TA) and femtosecond transient absorption (fs-TA) were utilized to investigate the photochemistry of some photosensitive molecules. Assisting, by these research instruments and Density Function Theory, we unravel photophysical and photochemical process of those selective compounds.

Research Project Details
Project Duration: 
08/2011-07/2015
Project Significance: 
This is very important to our research because we rely on faster Hpcpower2 to calculation for assignments of our experiments results. On Hpcpower2, the Density Function Theory calculation study, we have access to simulate and predict the possible intermediates and transient states energy of our research experiments.
Results Achieved: 
[1] Chuang, Y. P., Xue, J., Du, Y., Li, M. D. , An, H. Y., Phillips, D. L. “Time resonance Raman and density functional theory investigation of the photochemistry (S) -ketoprofen.” J. Phys . Chem . B, 2009 , 113 , 10530 -10539. [2] Li, M. D. , Li, W., Ma, J., Su. T., Liu, M., Du, Y., Phillips, D. L. “Femto-second transient, Nano-second Time-Resolved Resonance Raman and Density Function Theory study of Fenofibric Acid in Acetonitrile and isopropanol.” J. Phys . Chem . A, 2011 , 115 , 14168 –14174 .
Remarks: 
With Hpcpower2's help, we assigned the results from experiments.