Resonance Raman spectra and quantum chemical vibrational analysis of the C7H7⋅ and C7D7⋅ benzyl radicals

1994 ◽  
Vol 100 (5) ◽  
pp. 3503-3513 ◽  
Author(s):  
Frans W. Langkilde ◽  
Krzysztof Bajdor ◽  
Robert Wilbrandt ◽  
Fabrizia Negri ◽  
Francesco Zerbetto ◽  
...  
Keyword(s):  
Raman Spectra ◽  
Quantum Chemical ◽  
Resonance Raman ◽  
Vibrational Analysis ◽  
Benzyl Radicals ◽  
Resonance Raman Spectra

Resonance Raman spectra of highly reduced iron porphycenes

2006 ◽  
Vol 10 (11) ◽  
pp. 1271-1284 ◽  
Author(s):  
Rabbani M. Gulam ◽  
Saburo Neya ◽  
Junji Teraoka
Keyword(s):  
Raman Spectra ◽  
Anion Radical ◽  
Excited Electronic State ◽  
Resonance Raman ◽  
Vibrational Analysis ◽  
Redox States ◽  
Vis Spectroscopy ◽  
Vibrational Characteristics ◽  
Excitation Laser ◽  
Resonance Raman Spectra

The redox behavior of iron porphycenes using the sodium mirror contact technique is reported. The resonance Raman spectra are obtained for each redox state, in order to explore the vibrational characteristics of these species in different redox states. The observed resonance Raman behavior of Fe II porphycene anion radical and its dianion is interpreted using the vibrational analysis of free-base porphycene anion radical and dianion. For the first time, a species generated in the fourth reduction step, is confirmed by UV-vis spectroscopy and is assigned to Fe I porphycene π dianion. The dependence of resonance enhancements of Raman bands for the Fe I porphycene π dianion on excitation laser reveals structural distortion along the NC a C a N or C b C a C a C b segments of the pyrrole-pyrrole direct connection in the excited electronic state.

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.

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 lowest triplet state of 1,3,5‐hexatrienes: Quantum chemical force field calculations and experimental resonance Raman spectra

1989 ◽  
Vol 90 (11) ◽  
pp. 5944-5963 ◽  
Author(s):  
Fabrizia Negri ◽  
Giorgio Orlandi ◽  
Albert M. Brouwer ◽  
Frans W. Langkilde ◽  
Robert Wilbrandt
Keyword(s):  
Force Field ◽  
Triplet State ◽  
Raman Spectra ◽  
Quantum Chemical ◽  
Resonance Raman ◽  
Force Field Calculations ◽  
Resonance Raman Spectra ◽  
Chemical Force

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

Vibrational analysis and resonance Raman spectra of polycrystalline and matrix-isolated [CpFe(CO)2]2

1996 ◽  
Vol 251 (1-2) ◽  
pp. 157-166 ◽  
Author(s):  
C. Fickert ◽  
P. Günther ◽  
P. Scholz ◽  
D. Gernet ◽  
R. Pikl ◽  
...  
Keyword(s):  
Raman Spectra ◽  
Resonance Raman ◽  
Vibrational Analysis ◽  
Resonance Raman Spectra
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