Ion Association in Hydrothermal Sodium Sulfate Solutions Studied by Modulated FT-IR-Raman Spectroscopy and Molecular Dynamics

2015 ◽  
Vol 119 (30) ◽  
pp. 9847-9857 ◽  
Author(s):  
Joachim Reimer ◽  
Matthew Steele-MacInnis ◽  
Jörg M. Wambach ◽  
Frédéric Vogel
Keyword(s):  
Molecular Dynamics ◽  
Raman Spectroscopy ◽  
Sodium Sulfate ◽  
Ion Association ◽  
Sulfate Solutions ◽  
Ft Ir

Mechanism of expansion of mortars immersed in sodium sulfate solutions

2013 ◽  
Vol 43 ◽  
pp. 105-111 ◽  
Author(s):  
Cheng Yu ◽  
Wei Sun ◽  
Karen Scrivener
Keyword(s):  
Sodium Sulfate ◽  
Sulfate Solutions

scholarly journals THE SOLUBILITY OF PHTHALIC ACID IN WATER AND SODIUM SULFATE SOLUTIONS.

1921 ◽  
Vol 43 (5) ◽  
pp. 1205-1207 ◽  
Author(s):  
L. McMaster ◽  
E. Bender ◽  
E. Weil
Keyword(s):  
Sodium Sulfate ◽  
Phthalic Acid ◽  
Sulfate Solutions

scholarly journals Use of Raman Spectroscopy and FT-IR to Characterize the Biochar in Yellow Oxisol of Central Amazonia

2017 ◽  
Vol 9 (5) ◽  
pp. 1996-2006
Author(s):  
Felipe J. Padilha ◽  
Marcondes S. Silva ◽  
Rodrigo S. Guimarães ◽  
Johnny C. C. Cedano ◽  
Danielle M. Oliveira ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Central Amazonia ◽  
Ft Ir

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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