ChemInform Abstract: Calculation of Excited-State Geometries via the Time-Dependent Theory of Resonance Raman Spectroscopy: Application to the Complexes Cs4(W2OCl10) and Cs3(Re2OCl10).

ChemInform ◽  
1990 ◽  
Vol 21 (33) ◽  
Author(s):  
K.-S. K. SHIN ◽  
R. J. H. CLARK ◽  
J. I. ZINK
1999 ◽  
Vol 19 (1-4) ◽  
pp. 71-74 ◽  
Author(s):  
Xuming Zheng ◽  
David Lee Phillips

We have obtained A-band absorption resonance Raman spectra of 1-chloro-2- iodoethane in cyclohexane solution. We have done preliminary time-dependent wavepacket calculations to simulate the resonance Raman intensities and absorption spectrum in order to learn more about the short-time photodissociation dynamics. We compare our preliminary results for 1-chloro-2-iodoethane with previous resonance Raman results for iodoethane and find that there appears to be more motion along non- C—I stretch modes for 1-chloro-2-iodoethane than for iodoethane. This is consistent with results of TOF photofragment spectroscopy experiments which indicate much more internal excitation of the photoproducts from 1-chloro-2-iodoethane photodissociation than the photoproducts from iodoethane photodissociation.


1990 ◽  
Vol 94 (4) ◽  
pp. 1440-1443 ◽  
Author(s):  
Rhett G. Alden ◽  
Laurie D. Sparks ◽  
Mark R. Ondrias ◽  
Beverly A. Crawford ◽  
John A. Shelnutt

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