Hydrogen-bonded forms of ethanol—IR spectra and ab initio computations

George, W. O.; Has, Teyfik; Hossain, Md. Fokhray; Jones, B.F.; Lewis, R.J.

doi:10.1039/a803929a

Cited by 40 publications

(45 citation statements)

References 18 publications

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“…The negative (OH) dimer peak at 3516 cm −1 and positive-going peak at 3308 cm −1 in the ATR spectrum of LiClO 4 solution (Fig. 4) indicate the increase of ethanol dimers and trimers in the ClO 4 − solvation shell and a decrease of ethanol oligomers [35].…”

Section: Atr Spectra Of Solutionsmentioning

confidence: 98%

“…All spectra measured at −0.75, −1.2 and −1.6 V (reference potential −0.35 V) have a positive-going peak for the (OH) dimer at 3516 cm −1 , indicating the OH stretching vibrations of ethanol dimers and trimers in the ClO 4 − solvation shell [35]. At the same time, there is a negative-going peak for the (OH) oligomer at 3240 cm −1 , indicating an increase in the number of ethanol oligomers with strong hydrogen bonding [35][36][37][38].…”

Section: Sniftir Spectra For Negatively Charged Surfacesmentioning

confidence: 99%

“…The peak at 1088 cm −1 has been considered in some works to be the COH group bending [36], however, the density functional theory calculations identify this vibration as correlating more with the C C stretch of the (CC) mode. The CCO asymmetric stretch band a (CCO) is situated at 1051 cm −1 and the CCO symmetric stretch band s (CCO) is at 881 cm −1 [35][36][37].…”

Section: Atr Spectra Of Solutionsmentioning

confidence: 99%

“…The infrared spectrum of ethanol has a wide positive peak (OH) oligomer at 3300 cm −1 , corresponding to the vibration of hydrogen-bonded ethanol oligomers [35][36][37][38]. There are three bands in the C H stretching region: a (CH 3 ) at 2972 cm −1 [36,38], a (CH 2 ) at 2926 cm −1 and s (CH 3 ) at 2880 cm −1 .…”

Section: Atr Spectra Of Solutionsmentioning

confidence: 99%

“…3c, each corresponding to the electroreduction of a different previously formed surface compound [33]. [17,[35][36][37][38] as well as by using our own density functional theory calculations for single ethanol molecules and small hydrogen-bonded ethanol clusters or perchlorate anions.…”

Section: Electrochemical Measurementsmentioning

confidence: 99%

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In situ infrared spectroscopic characterization of a bismuth–ethanol interface

Romann

Väärtnõu

Jänes

et al. 2008

Electrochimica Acta

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Section: Atr Spectra Of Solutionsmentioning

confidence: 98%

Section: Sniftir Spectra For Negatively Charged Surfacesmentioning

confidence: 99%

Section: Atr Spectra Of Solutionsmentioning

confidence: 99%

Section: Atr Spectra Of Solutionsmentioning

confidence: 99%

Section: Electrochemical Measurementsmentioning

confidence: 99%

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In situ infrared spectroscopic characterization of a bismuth–ethanol interface

Romann

Väärtnõu

Jänes

et al. 2008

Electrochimica Acta

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Molecule‐Enhanced Surface‐Enhanced Infrared Absorption Spectroscopy (MOSEIRA)

2007

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Surface-enhanced infrared absorption spectroscopy (SEIRA) of methanol, ethanol, 1-propanol, and 2-propanol in thin films on planar silver halide (AgX) fibers under slow N(2) flow using 1 sec scans reveals structure in absorbance-time plots. The absorption intensities show extra enhancements (3x) in the absorbance (O--H stretch) ascribed to oligomers present at the AgX surface (molecule enhanced, thus MOSEIRA). This is above those due to amplification (40x, 20 reflections) and enhancement (30x, image dipoles or surface phonon polaritons). In the case of ethanol an excellent initial pentamer spectrum evolves over 8-10 min to a mixture of pentamer, tetramer, and trimer spectra that within another minute forms small oligomers and monomers. We use a new type of cell for infrared spectroscopy containing an AgX planar fiber. The optical configuration leads to a vicinal region at the surface defined by evanescent waves. Within this region are surface-induced organized species such as ethanol oligomers. The planar AgX fiber supports 20 reflections and transmits light over a wide visible-infrared wavelength range. Short scan times permit the study of volatile substrates or solvents, including the effects of solvent polarity.

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One‐shot synthesis of high molar mass polyurethane in supercritical carbon dioxide

Renault¹,

Tassaing²,

Cloutet³

et al. 2007

J. Polym. Sci. A Polym. Chem.

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Well‐defined polyurethane–polydimethylsiloxane particles of tunable diameter in the range of 0.5–20 μm were synthesized in “one‐shot” by step‐growth polymerization using supercritical carbon dioxide (scCO2) as a dispersant medium. Polymerizations were carried out at 60 °C and above 25 MPa, after the solubility of each reactant in scCO2 has been determined in its typical reaction concentration. The synthesis of such copolymers was achieved by polyaddition between short aliphatic diols, that is, ethylene glycol, 1,4‐butanediol (BD) or polyethylene oxide (Mn = 200 g mol−1), and tolylene‐1,4‐di‐isocyanate (TDI) in the presence of mono or di‐isocyanate‐terminated polydimethylsiloxane (PDMS) as reactive stabilizers and dibutyltin dilaurate as a catalyst. The nature of the diol used as well as the functionality of the reactive stabilizer incorporated was found to have a dramatic effect on the molar mass and the morphology of the resulting product. Thus, copolymers obtained from the polyaddition of BD and TDI in the presence of di‐isocyanate‐terminated PDMS exhibit molar mass up to 90,000 g mol−1. Thermal behaviors of copolymers were also examined by differential scanning calorimetry. All samples exhibited only one glass transition temperature (Tg) and were found to be totally amorphous. A logical decrease of the Tg was observed as the length of the diol incorporated increased, that is, as the density of urethane linkages within the polymer decreased. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 5649–5661, 2007

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Hydrogen-bonded forms of ethanol—IR spectra and ab initio computations

Cited by 40 publications

References 18 publications

In situ infrared spectroscopic characterization of a bismuth–ethanol interface

In situ infrared spectroscopic characterization of a bismuth–ethanol interface

Molecule‐Enhanced Surface‐Enhanced Infrared Absorption Spectroscopy (MOSEIRA)

One‐shot synthesis of high molar mass polyurethane in supercritical carbon dioxide

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