Quantitative resonance Raman spectroscopy of N-acetylpyrrolidine in aqueous solution

1993 ◽  
Vol 97 (31) ◽  
pp. 8158-8164 ◽  
Author(s):  
Gregory P. Harhay ◽  
Bruce S. Hudson
Keyword(s):  
Aqueous Solution ◽  
Raman Spectroscopy ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman

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.

scholarly journals The Interaction Between Titanium(IV) and the Croconate Ion in Aqueous Solution Studied by Resonance Raman Spectroscopy

1996 ◽  
Vol 7 (6) ◽  
pp. 385-390 ◽  
Author(s):  
Lucia Kiyomi Noda ◽  
Norberto Sanches Gonçalves ◽  
Paulo Sergio Santos ◽  
Oswaldo Sala
Keyword(s):  
Aqueous Solution ◽  
Raman Spectroscopy ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman

Peripheral substituent and solvent effects on the aggregation and photochemical properties of copper(II)phthalocyanine and copper(II)phthalocyanine-3,4',4'',4'''-tetrasulfonic anion

2004 ◽  
Vol 76 (1) ◽  
pp. 183-187 ◽  
Author(s):  
I. Szymczyk ◽  
H. Abramczyk
Keyword(s):  
Aqueous Solution ◽  
Raman Spectroscopy ◽  
Solvent Effects ◽  
Vibrational Mode ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
Water Properties ◽  
Influence Of Water ◽  
Photochemical Properties

The role played by the peripheral substituent and the solvent on the aggregation and photochemical properties of copper(II) phthalocyanine and copper(II)phthalocyanine-3,4',4'',4'''-tetrasulfonic anion [Cu(tsPc)-4] in aqueous solution has been studied by resonance Raman spectroscopy (RRS). The vibrational mode ν4 (1530 cm-1) and the symmetric and antisymmetric stretching modes of water have been used as a probe of interactions and aggregation in resonance Raman measurements. It has been shown that the Cu(tsPc)-4 molecules have a tremendous influence on water properties in solutions. In contrast, the influence of water on the Cu(tsPc)-4 properties appears to be weak.

Ionic and Tautomeric Composition of Cytosine in Aqueous Solution: Resonance and Non-Resonance Raman Spectroscopy Study

2013 ◽  
Vol 117 (48) ◽  
pp. 12734-12748 ◽  
Author(s):  
Tatiana G. Burova ◽  
Vladimir V. Ermolenkov ◽  
Galina N. Ten ◽  
Dmitriy M. Kadrov ◽  
Marina N. Nurlygaianova ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Raman Spectroscopy ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
Spectroscopy Study ◽  
Tautomeric Composition

scholarly journals Vibrational Relaxation of Functional Groups in dAMP Molecules Probed with UV Resonance Raman Spectroscopy

2020 ◽  
Vol 71 (1) ◽  
pp. 288-297
Author(s):  
Cristina M. Muntean ◽  
Ioan Bratu ◽  
Bernd Walkenfort ◽  
Mohammad Salehi ◽  
Simina A. Purcaru ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Raman Spectroscopy ◽  
Shape Analysis ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
Time Correlation ◽  
Time Correlation Function ◽  
Band Shape ◽  
Uv Resonance Raman ◽  
Uv Resonance Raman Spectroscopy

Dynamical properties of functional groups in 2�-deoxyadenosine-5�-monophosphate (dAMP) compound, were identified by UV resonance Raman spectroscopy (UVRR), upon varying nucleotide concentration in aqueous solution (200-600 μM). The studied full-widths at half-maximum (fwhm�s) were found between 13 - 21 cm-1 and the corresponding global relaxation times were faster than 0.817 ps and slower than 0.506 ps. Also, the band around 1430 cm-1 (C4N9-δC8H) in the UV resonance Raman spectrum of dAMP molecule at 400 μM concentration in aqueous solution, was selected for vibrational band shape analysis through time correlation function (CF) concept. Current theories developed for vibrational dephasing (Kubo-Rothschild and Oxtoby) have been applied to this profile and relevant relaxation parameters have been obtained and discussed. The best fit parameters for this dissipation channel of the vibrational excitation energy were established. To our knowledge this is the first UVRR study on nucleotide vibrational band shape analysis through time correlation function concept.

Unlocking the Power of Resonance Raman Spectroscopy: the Case of Amides in Aqueous Solution

2021 ◽  
pp. 117841
Author(s):  
Sara Gómez ◽  
Franco Egidi ◽  
Alessandra Puglisi ◽  
Tommaso Giovannini ◽  
Barbara Rossi ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Raman Spectroscopy ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman
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