Vertical and Relaxed Structures of a Reactive Organosilane Radical Cation from CW and Transient Resonance Raman Spectra

1999 ◽  
Vol 103 (20) ◽  
pp. 3876-3883 ◽  
Author(s):  
Jerry T. Godbout ◽  
Matthew D. Pietrzykowski ◽  
Ian R. Gould ◽  
Joshua L. Goodman ◽  
Anne Myers Kelley
Keyword(s):  
Raman Spectra ◽  
Radical Cation ◽  
Resonance Raman ◽  
Transient Resonance ◽  
Resonance Raman Spectra

Rabi broadening of transient resonance Raman spectra of deoxy hemoglobin

1990 ◽  
Vol 7 (8) ◽  
pp. 1579 ◽  
Author(s):  
R. G. Alden ◽  
S. Courtney ◽  
E. W. Findsen ◽  
M. R. Ondrias ◽  
J. M. Friedman
Keyword(s):  
Raman Spectra ◽  
Resonance Raman ◽  
Transient Resonance ◽  
Resonance Raman Spectra

scholarly journals The Radical Cation of Bithiophene: An Experimental and Theoretical Study

1999 ◽  
Vol 19 (1-4) ◽  
pp. 393-396 ◽  
Author(s):  
T. Keszthelyi ◽  
M. M.-L. Grage ◽  
R. Wilbrandt ◽  
C. Svendsen ◽  
O. S. Mortensen
Keyword(s):  
Raman Spectra ◽  
Radical Cation ◽  
Density Functional ◽  
Resonance Raman ◽  
Density Functional Theory Calculations ◽  
Electron Transfer Reaction ◽  
Acetonitrile Solution ◽  
Γ Irradiation ◽  
Absorption Bands ◽  
Resonance Raman Spectra

The electronic absorption spectrum of the bithiophene radical cation prepared by γ-irradiation in a glassy Freon matrix is presented, together with the Raman spectra excited at 550 and 425 nm, in resonance with the two absorption bands. The 425 nm excited Raman spectrum was also recorded in a room temperature acetonitrile solution, in this case the radical cation was generated via a photoinduced electron transfer reaction. The resonance Raman spectra were interpreted with the help of density functional theory calculations. The results indicate the existence of at least two rotamers of the bithiophene radical cation. The time-domain method was applied to the simultaneous fitting of the absorption and resonance Raman spectra.

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