Resonant Raman spectra of molecules with diradical character: multiconfigurational wavefunction investigation of neutral viologens

2014 ◽  
Vol 16 (39) ◽  
pp. 21721-21731 ◽  
Author(s):  
Julia Romanova ◽  
Vincent Liégeois ◽  
Benoît Champagne
Keyword(s):  
Raman Spectra ◽  
Resonance Raman ◽  
Diradical Character ◽  
Multiconfigurational Methods ◽  
Resonant Raman

In search for a relationship between the diradical character and resonance Raman signatures of neutral viologens by multiconfigurational methods.

scholarly journals Modeling the Transient Changes in the Soret-Resonant Raman Intensities of Hemoglobin During The R→ T Transition

1999 ◽  
Vol 19 (1-4) ◽  
pp. 229-231
Author(s):  
Thomas S. Rush ◽  
Ranjit Kumble ◽  
Thomas G. Spiro
Keyword(s):  
Excited State ◽  
Force Constant ◽  
Raman Spectra ◽  
Resonance Raman ◽  
Ring Expansion ◽  
Porphyrin Ring ◽  
Core Size ◽  
Time Resolved ◽  
Intensity Calculations ◽  
Resonant Raman

We have performed resonance Raman (RR) intensity calculations of the Soret-resonant Raman spectra of Ni and Zn Porphine to investigate observed core size intensity differences in the time-resolved Soret-resonant Raman (RR) spectra of hemoglobin. It was found that the metalloporphine intensities mainly derive from the expansion of the Cα—Cm and Cβ—Cβ bonds in the excited state, and that the observed differences are mainly due to the larger core-sized heme having a decreased Cα—Cm force constant and larger excited state porphyrin ring expansion.

scholarly journals Resonance and antiresonance in Raman scattering in GaSe and InSe crystals

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
M. Osiekowicz ◽  
D. Staszczuk ◽  
K. Olkowska-Pucko ◽  
Ł. Kipczak ◽  
M. Grzeszczyk ◽  
...  
Keyword(s):  
Raman Scattering ◽  
Temperature Effect ◽  
Band Gap ◽  
Raman Spectra ◽  
Quantum Interference ◽  
Optical Band Gap ◽  
Phonon Coupling ◽  
Phonon Modes ◽  
Electron Phonon Coupling ◽  
Resonant Raman

AbstractThe temperature effect on the Raman scattering efficiency is investigated in $$\varepsilon$$ ε -GaSe and $$\gamma$$ γ -InSe crystals. We found that varying the temperature over a broad range from 5 to 350 K permits to achieve both the resonant conditions and the antiresonance behaviour in Raman scattering of the studied materials. The resonant conditions of Raman scattering are observed at about 270 K under the 1.96 eV excitation for GaSe due to the energy proximity of the optical band gap. In the case of InSe, the resonant Raman spectra are apparent at about 50 and 270 K under correspondingly the 2.41 eV and 2.54 eV excitations as a result of the energy proximity of the so-called B transition. Interestingly, the observed resonances for both materials are followed by an antiresonance behaviour noticeable at higher temperatures than the detected resonances. The significant variations of phonon-modes intensities can be explained in terms of electron-phonon coupling and quantum interference of contributions from different points of the Brillouin zone.

scholarly journals Low-temperature resonance-Raman spectra of Japanese-lacquer-tree (Rhus vernicifera) laccase, type-2-copper-depleted laccase and H2O2-treated type-2-copper-depleted laccase

1983 ◽  
Vol 213 (2) ◽  
pp. 503-506 ◽  
Author(s):  
G Musci ◽  
A Desideri ◽  
L Morpurgo ◽  
A Garnier-Suillerot ◽  
L Tosi
Keyword(s):  
Raman Spectra ◽  
Strong Dependence ◽  
Resonance Raman ◽  
Local Symmetry ◽  
Structural Rearrangements ◽  
Blue Copper ◽  
Copper Site ◽  
Resonance Raman Spectra ◽  
Rhus Vernicifera

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.

Resonance Raman Spectra of β-Diketiminatocopper(II) Complexes

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