Microcalorimetric, FTIR, and DFT Studies of the Adsorption of Methanol, Ethanol, and 2,2,2-Trifluoroethanol on Silica

Natal-Santiago, M.A.; Dumesic, James A.

doi:10.1006/jcat.1998.2003

Cited by 116 publications

(111 citation statements)

References 49 publications

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“…3a) also gives rise to a broad band at 3,555 cm -1 . This band can be assigned to the OH vibrations of the hydrogen-bonded ethanol [20][21][22][23][24][25]. At the same time, some new bands could also be observed at 2,982, 2,937, 1,448 and 1,395 cm -1 (Fig.…”

Section: Ft-ir Studies Of the Adsorption Of Ethanol On The Activated mentioning

confidence: 94%

Mechanistic Studies on the Coupled Reaction of n-Hexane and Ethanol Over HZSM-5 Zeolite Catalyst

et al. 2008

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The coupled reaction of n-hexane and ethanol over HZSM-5 zeolite has been, for the first time, investigated with a pulse-reaction system. The catalytic reaction results showed an improvement of the initial conversion activity of n-hexane when ethanol was introduced as co-reactant. The FT-IR analysis revealed that the ethanol molecules adsorbed on Brønsted acidic sites were immediately transformed into surface ethoxy groups, which were active species for converting n-hexane and improving the initial conversion activity of n-hexane by a bimolecular hydride transfer mode. Also, the catalytic tests suggested that alkenes resulting from the transformation of ethanol could not enhance the initial conversion of n-hexane compared to active ethoxy groups at the shortest contact time. A mechanism involving the ethoxy groups was proposed to understand the coupled reaction of ethanol and n-hexane.

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Section: Ft-ir Studies Of the Adsorption Of Ethanol On The Activated mentioning

confidence: 94%

Mechanistic Studies on the Coupled Reaction of n-Hexane and Ethanol Over HZSM-5 Zeolite Catalyst

et al. 2008

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“…group (3.7Å) (46) and the diameter of the amine head group (3.38Å) (18) and is much larger than that of the alcohol hydroxyl (ca. 1Å) (47). It follows that if the chains associate by hydrophobic interaction in the soluble amine-alcohol complex, the head groups are 4.3-4.5Å apart (Fig.…”

Section: Xps Studiesmentioning

confidence: 96%

Mechanisms of Amine–Quartz Interaction in the Absence and Presence of Alcohols Studied by Spectroscopic Methods

Vidyadhar

Rao

Чернышова

et al. 2002

Journal of Colloid and Interface Science

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“…[7][8][9][10][11] Traditionally these properties have been blending compounds for reformulated gasoline. 22,23 Numerous experimental and theoretical studies have investigated both these solid/alcohol and solid/alcohol vapor interfaces. [23][24][25][26] More recently, VSFS and other 2 nd order nonlinear optical methods have been employed to study molecular-level interactions at buried silica/liquid alcohol interfaces.…”

Section: Introductionmentioning

confidence: 99%

“…22,23 Numerous experimental and theoretical studies have investigated both these solid/alcohol and solid/alcohol vapor interfaces. [23][24][25][26] More recently, VSFS and other 2 nd order nonlinear optical methods have been employed to study molecular-level interactions at buried silica/liquid alcohol interfaces. 20,[27][28][29][30][31][32] Using this surface specific technique, vibrational modes of species in asymmetric environments have been observed and used to discern the structure and organization of interfacial molecules.…”

Section: Introductionmentioning

confidence: 99%

Unusual Structure and Dynamics at Silica/Methanol and Silica/Ethanol Interfaces—A Molecular Dynamics and Nonlinear Optical Study

et al. 2015

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Vibrational sum frequency (VSF) spectroscopy and molecular dynamics simulations are used to investigate ethanol-silica and methanol-silica interfaces. We describe the subtle differences in molecular organization that result in different VSF spectra obtained at the alcohol-silica liquidsolid interfaces. Alcohol molecules hydrogen bonded to the silica surface induce orientational opposition in an adjacent low-population region, which implies VSF signal reduction. This low population region is essentially of zero density in the ethanol system, suggesting less signal cancellation. Simulated silica defect sites increase the population of this region in both systems.Interestingly, the induced orientation in this region influences subsequent molecular orientation only in the ethanol-silica system, preserving the interfacial anisotropy. These effects suggest a stronger VSF response from the ethanol-silica system versus the methanol-silica system, where more methanol molecules reside in the low-population region and this region does not induce order in subsequent solvent layers.

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Microcalorimetric, FTIR, and DFT Studies of the Adsorption of Methanol, Ethanol, and 2,2,2-Trifluoroethanol on Silica

Cited by 116 publications

References 49 publications

Mechanistic Studies on the Coupled Reaction of n-Hexane and Ethanol Over HZSM-5 Zeolite Catalyst

Mechanistic Studies on the Coupled Reaction of n-Hexane and Ethanol Over HZSM-5 Zeolite Catalyst

Mechanisms of Amine–Quartz Interaction in the Absence and Presence of Alcohols Studied by Spectroscopic Methods

Unusual Structure and Dynamics at Silica/Methanol and Silica/Ethanol Interfaces—A Molecular Dynamics and Nonlinear Optical Study

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