ChemInform Abstract: Time-Resolved Resonance Raman Spectroscopy of p-Aminophenol Radical Cation in Aqueous Solution

ChemInform ◽  
1990 ◽  
Vol 21 (47) ◽  
Author(s):  
Q. SUN ◽  
G. N. R. TRIPATHI ◽  
R. H. SCHULER
Keyword(s):  
Aqueous Solution ◽  
Raman Spectroscopy ◽  
Radical Cation ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
Time Resolved

Time-Resolved Resonance Raman Spectroscopy

1985 ◽  
pp. 93-109
Author(s):  
Robert Wilbrandt ◽  
Niels-Henrik Jensen ◽  
C. Houée-Levin ◽  
R. V. Bensasson
Keyword(s):  
Raman Spectroscopy ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
Time Resolved

scholarly journals Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman

Molecules ◽  
2022 ◽  
Vol 27 (2) ◽  
pp. 442
Author(s):  
Sara Gómez ◽  
Natalia Rojas-Valencia ◽  
Tommaso Giovannini ◽  
Albeiro Restrepo ◽  
Chiara Cappelli
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Raman Spectroscopy ◽  
Natural Bond Orbital ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
Nbo Analysis ◽  
Raman Signal ◽  
Incident Wavelength ◽  
Selective Enhancement

We unravel the potentialities of resonance Raman spectroscopy to detect ibuprofen in diluted aqueous solutions. In particular, we exploit a fully polarizable quantum mechanics/molecular mechanics (QM/MM) methodology based on fluctuating charges coupled to molecular dynamics (MD) in order to take into account the dynamical aspects of the solvation phenomenon. Our findings, which are discussed in light of a natural bond orbital (NBO) analysis, reveal that a selective enhancement of the Raman signal due to the normal mode associated with the C–C stretching in the ring, νC=C, can be achieved by properly tuning the incident wavelength, thus facilitating the recognition of ibuprofen in water samples.

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