scholarly journals Time Domain Simulation of (Resonance) Raman Spectra of Liquids in the Short Time Approximation

Author(s):  
Johann Mattiat ◽  
Sandra Luber
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.


1983 ◽  
Vol 213 (2) ◽  
pp. 503-506 ◽  
Author(s):  
G Musci ◽  
A Desideri ◽  
L Morpurgo ◽  
A Garnier-Suillerot ◽  
L Tosi

Resonance-Raman spectra of Japanese-lacquer-tree (Rhus vernicifera) laccase, type-2-copper-depleted laccase and the latter form treated with H2O2 were measured in liquid and frozen solution, on excitation into the 600 nm absorption band. Significant changes in intensity and/or frequency of the bands lying in the 370-430 cm-1 region were observed on freezing, indicating local structural rearrangements taking place at the blue copper site. These findings corroborate previous suggestions based on e.p.r. measurements and redox data [Morpurgo, Calabrese, Desideri & Rotilio (1981) Biochem. J. 193, 639-642]. They show the strong dependence of the physical properties of blue copper centres on local symmetry. Some conclusions on the origin of the Raman bands are also drawn.


2010 ◽  
Vol 83 (10) ◽  
pp. 1162-1169
Author(s):  
Tomoko Miyazaki ◽  
Chizu Shimokawa ◽  
Toshio Matsushita ◽  
Shinobu Itoh ◽  
Junji Teraoka

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