scholarly journals Molecular Structure of Stilbene in the T1 State. Transient Resonance Raman Spectra of Stilbene Isotopomers and Quantum Chemical Calculations

1994 ◽  
Vol 98 (9) ◽  
pp. 2254-2265 ◽  
Author(s):  
Frans W. Langkilde ◽  
Robert Wilbrandt ◽  
Albert M. Brouwer ◽  
Fabrizia Negri ◽  
Francesco Zerbetto ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Quantum Chemical Calculations ◽  
Raman Spectra ◽  
Quantum Chemical ◽  
Resonance Raman ◽  
Transient Resonance ◽  
Resonance Raman Spectra

scholarly journals Lowest excited triplet state of 2,5-dimethyl-1,3,5-hexatriene: resonance Raman spectra and quantum chemical calculations

1991 ◽  
Vol 95 (18) ◽  
pp. 6895-6904 ◽  
Author(s):  
Fabrizia Negri ◽  
Giorgio Orlandi ◽  
Albert M. Brouwer ◽  
Frans W. Langkilde ◽  
Soeren Moeller ◽  
...  
Keyword(s):  
Triplet State ◽  
Quantum Chemical Calculations ◽  
Raman Spectra ◽  
Quantum Chemical ◽  
Resonance Raman ◽  
Excited Triplet State ◽  
Excited Triplet ◽  
Resonance Raman Spectra

scholarly journals The Resonance Raman Spectra Of Biologically Relevant Polyene Derivatives in T1: A Theoretical Investigation

1999 ◽  
Vol 19 (1-4) ◽  
pp. 191-194
Author(s):  
Fabrizia Negri ◽  
Giorgio Orlandi
Keyword(s):  
Raman Spectra ◽  
Quantum Chemical ◽  
Resonance Raman ◽  
Vibrational Structure ◽  
Biologically Relevant ◽  
Exciting Wavelength ◽  
Equilibrium Structures ◽  
Resonance Raman Spectra ◽  
Franck Condon ◽  
Semiempirical Quantum Chemical Calculations

The vibrational structure of the T1 resonance Raman spectra of β-ionylidene acetaldehyde (C15 aldehyde) and retinal are analyzed with the help of semiempirical quantum chemical calculations. The T1 equilibrium structures and vibrational force fields, along with the structure in the Tn state which is in resonance with the exciting wavelength, are obtained and employed to model the spectra under the assumption of a dominant Franck–Condon mechanism.

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