Water, chloroform, acetonitrile, and atrazine adsorption to the amorphous silica surface studied by vibrational sum frequency generation spectroscopy

Casillas-Ituarte, Nadia N.; Allen, Heather C.

doi:10.1016/j.cplett.2009.10.056

Cited by 33 publications

(55 citation statements)

References 42 publications

(60 reference statements)

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“…As a result, the surface properties of an acetonitrile-water mixture are of some practical interest and have been the subject of several studies. 22,24,[39][40][41][42][43] In addition, there have been a number of acetonitrile-solid surface SFG studies. [44][45][46][47][48] Acetonitrile is of particular interest in the present work due to the two independent vibrational oscillators with significant SFG intensity: the C w N stretch and the CH 3 symmetric stretch.…”

Section: A Acetonitrile-watermentioning

confidence: 99%

Multiplexed polarization spectroscopy: Measuring surface hyperpolarizability orientation

Shultz

Bisson

Groenzin³

et al. 2010

The Journal of Chemical Physics

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Infrared-visible sum frequency generation (SFG) has seen increasing usage as a surface probe, particularly for liquid interfaces since they are amenable to few alternate probes. Interpreting the SFG data to arrive at a molecular-level configuration on the surface, however, remains a challenge. This paper reports a technique for analyzing and interpreting SFG data--called polarization-angle null or PAN-SFG. PAN-SFG enables ready identification of the ratio of the surface tangential and longitudinal hyperpolarizabilities--the hyperpolarizability direction--as well as the phase relationship between these components separated from the optical factors due to the substrate and experimental geometry. Separation of the surface optical factors results in an immediate connection between the null angle and the surface species polarization. If the Raman polarizability is also known, then PAN-SFG analysis, like the previously reported null techniques, provides a very accurate orientation. In addition, the reported polarization-angle, phase-shift analysis enables facile separation of the nonresonant background polarization from that of the resonant signal. Beyond orientation, PAN-SFG can be used to deconvolute overlapping resonances and identify components beyond a dipole response. This paper reports PAN-SFG for two systems providing deeper insight into both. An acetonitrile-water mixture was previously reported to undergo a phase transition at 7 mol %, attributed to a sudden change in orientation. PAN-SFG demonstrates that acetonitrile generates a classic dipole response and provides compelling evidence that the acetonitrile configuration remains constant as a function of concentration. An alternate model for the phase transition is presented. Like many aqueous systems, the SFG spectrum of the hydrogen-bonded region of ice consists of broad and overlapping features; features previously identified with PAN-SFG. Here PAN-SFG analysis is used to show that the reddest of these, the feature at 3098 cm(-1), contains a significant quadrupole contribution that grows as the temperature is lowered. The quadrupole and its temperature dependence are used to assign the 3098 cm(-1) feature to bilayer-stitching-hydrogen bonds. This is the first definitive assignment in the hydrogen-bonded region of water.

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Section: A Acetonitrile-watermentioning

confidence: 99%

Multiplexed polarization spectroscopy: Measuring surface hyperpolarizability orientation

Shultz

Bisson

Groenzin³

et al. 2010

The Journal of Chemical Physics

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“…The significantly larger SFG signal at~3400 cm −1 might mean the formation of water clusters around SiOH. 109,110 The A 3200 /A 3400 ratio of fused quartz/water vapor interface is significantly larger than those of polished ISG and Vycor; the higher surface density of SiOH groups on the fused quartz facilitates the formation of a more uniform film of strongly hydrogen-bonded "ice-like" water layer. 91,111 Figure 7b also shows that at 40% RH, the sharp peak of isolated SiOH at~3740 cm −1 is shifted to~3700 cm −1 and becomes broader.…”

Section: Simulations Of Hydrogen Bonds In Nano-porous Silica Gelsmentioning

confidence: 99%

“…65,100 Also, a small variance in hydrophobicity of fused silica surface can affect the water adsorption behavior. 108,109,112 Figure 7c shows SFG spectra of polished ISG, fused quartz, and porous Vycor at 90% RH. SFG intensity is significantly higher than the intensity at 40% RH.…”

Section: Simulations Of Hydrogen Bonds In Nano-porous Silica Gelsmentioning

confidence: 99%

Hydrogen bonding interactions of H2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution

et al. 2020

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Hydrogen bonding interactions play an important role in many chemical and physical processes occurring in bulk liquids and at interfaces. In this study, hydrous species (H 2 O and Si-OH) on nano-porous alteration layers (gels) formed on a boroaluminosilicate glass called International Simple Glass corroded in aqueous solutions at pH 7 and pH 9, and initially saturated with soluble siliconcontaining species were analyzed using linear and non-linear vibrational spectroscopy in combination with molecular dynamics simulations. The simulation results revealed various possible types of hydrogen bonds among these hydrous species in nanoconfinement environments with their populations depending on pore-size distribution. The nano-porous gels formed on corroded glass surfaces enhance hydrogen bond strength between hydrous species as revealed by attenuated total reflectance infrared spectroscopy. Sum frequency generation spectroscopy showed some significant differences in hydrogen bonding interactions on alteration layers formed at pH 7 and pH 9. The glass dissolution under the leaching conditions used in this study has been known to be ten times faster at pH 7 in comparison to that at pH 9 due to unknown reasons. The simulation and experimental results obtained in this study indicate that the water mobility in the gel formed at pH 9 could be slower than that in the gel formed at pH 7, and as a result, the leaching rate at pH 9 is slower than that at pH 7.npj Materials Degradation (2020) 4:1 ; https://doi.

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“…33,35,[39][40][41][42][43][44][45] However, in previous SFG studies of DPPC Langmuir monolayers, researchers have focused mainly on the chain ordering. 21,46,47 Here we focus on the phosphate stretching region at ∼1100 cm -1 .…”

Section: Introductionmentioning

confidence: 99%

Na⁺ and Ca²⁺ Effect on the Hydration and Orientation of the Phosphate Group of DPPC at Air−Water and Air−Hydrated Silica Interfaces

et al. 2010

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Hydration and orientation of the phosphate group of dipalmitoylphosphatidylcholine (DPPC) monolayers in the liquid-expanded (LE) phase and the liquid-condensed (LC) phase in the presence of sodium ions and calcium ions was investigated with vibrational sum frequency generation (SFG) spectroscopy at the airaqueous interface in conjunction with surface pressure measurements. In the LE phase, both sodium and calcium affect the phosphate group hydration. In the LC phase, however, sodium ions affect the phosphate hydration subtly, while calcium ions cause a marked dehydration. Silica-supported DPPC monolayers prepared by the Langmuir-Blodgett method reveal similar hydration behavior relative to that observed in the corresponding aqueous subphase for the case of water and in the presence of sodium ions. However, in the presence of calcium ions the phosphate group dehydration is greater than that from the corresponding purely aqueous CaCl 2 subphase. The average tilt angles from the surface normal of the PO 2 -group of DPPC monolayers on the water surface and on the silica substrate calculated from SFG data are found to be 59°( 3°and 72°( 5°, respectively. Orientation of the phosphate group is additionally affected by the presence of ions. These findings show that extrapolation of results obtained from model membranes from liquid surfaces to solid supports may not be warranted since there are differences in headgroup organization on the two subphases.

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Water, chloroform, acetonitrile, and atrazine adsorption to the amorphous silica surface studied by vibrational sum frequency generation spectroscopy

Cited by 33 publications

References 42 publications

Multiplexed polarization spectroscopy: Measuring surface hyperpolarizability orientation

Multiplexed polarization spectroscopy: Measuring surface hyperpolarizability orientation

Hydrogen bonding interactions of H2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution

Na⁺ and Ca²⁺ Effect on the Hydration and Orientation of the Phosphate Group of DPPC at Air−Water and Air−Hydrated Silica Interfaces

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Water, chloroform, acetonitrile, and atrazine adsorption to the amorphous silica surface studied by vibrational sum frequency generation spectroscopy

Cited by 33 publications

References 42 publications

Multiplexed polarization spectroscopy: Measuring surface hyperpolarizability orientation

Multiplexed polarization spectroscopy: Measuring surface hyperpolarizability orientation

Hydrogen bonding interactions of H2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution

Na+ and Ca2+ Effect on the Hydration and Orientation of the Phosphate Group of DPPC at Air−Water and Air−Hydrated Silica Interfaces

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Na⁺ and Ca²⁺ Effect on the Hydration and Orientation of the Phosphate Group of DPPC at Air−Water and Air−Hydrated Silica Interfaces