scholarly journals Interfacial water on organic substrates at cryogenic temperatures: hydrogen bonding and quantification in the submonolayer regime

2017 ◽  
Vol 19 (3) ◽  
pp. 2304-2312 ◽  
Author(s):  
D. Houdoux ◽  
J. Houplin ◽  
L. Amiaud ◽  
A. Lafosse ◽  
C. Dablemont
Keyword(s):  
Hydrogen Bonding ◽  
Vibrational Spectroscopy ◽  
Molecular Level ◽  
Interfacial Water ◽  
Organic Substrates ◽  
Cryogenic Temperatures

H2O adsorption at 28 K on a model hydrophilic organized layer was investigated at the molecular level by vibrational spectroscopy.

scholarly journals Decoding the molecular water structure at complex interfaces through surface-specific spectroscopy of the water bending mode

2020 ◽  
Vol 22 (19) ◽  
pp. 10934-10940 ◽  
Author(s):  
Takakazu Seki ◽  
Chun-Chieh Yu ◽  
Xiaoqing Yu ◽  
Tatsuhiko Ohto ◽  
Shumei Sun ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Vibrational Spectroscopy ◽  
Water Structure ◽  
Molecular Water ◽  
Interfacial Water ◽  
Aqueous Interfaces ◽  
Bonding Structure ◽  
Bending Mode ◽  
Solid Water

The water bending mode vibrational spectroscopy provides a new avenue for unveiling the hydrogen bonding structure of interfacial water at complex aqueous interfaces such as solid–water and bio–water interfaces.

Molecular gels in the gas phase? Gelator–gelator and gelator–solvent interactions probed by vibrational spectroscopy

2016 ◽  
Vol 18 (32) ◽  
pp. 22100-22107 ◽  
Author(s):  
Rolando Lozada-Garcia ◽  
Dan Mu ◽  
Marie Plazanet ◽  
Pierre Çarçabal
Keyword(s):  
Hydrogen Bonding ◽  
Gas Phase ◽  
Vibrational Spectroscopy ◽  
Large Range ◽  
Molecular Level ◽  
Solvent Interactions ◽  
Macroscopic Level ◽  
Non Covalent Interactions ◽  
Molecular Gels ◽  
Covalent Interactions

At the most basic molecular level, it is possible to interrogate a large range of non-covalent interactions ranging from OH → OH hydrogen bonding, to OH → π, and CH → π, all being at the center of gels properties at the macroscopic level.

scholarly journals Structure and vibrational spectroscopy of methanesulfonic acid

2018 ◽  
Vol 5 (12) ◽  
pp. 181363 ◽  
Author(s):  
Lisha Zhong ◽  
Stewart F. Parker
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bonding ◽  
Vibrational Spectroscopy ◽  
Density Functional ◽  
Inelastic Neutron Scattering ◽  
Linear Chain ◽  
Methanesulfonic Acid ◽  
Chain Structure ◽  
Trifluoromethanesulfonic Acid ◽  
Functional Theory

In this work, we have used a combination of vibrational spectroscopy (infrared, Raman and inelastic neutron scattering) and periodic density functional theory to investigate the structure of methanesulfonic acid (MSA) in the liquid and solid states. The spectra clearly show that the hydrogen bonding is much stronger in the solid than the liquid state. The structure of MSA is not known; however, mineral acids typically adopt a chain structure in condensed phases. A periodic density functional theory (CASTEP) calculation based on the linear chain structure found in the closely related molecule trifluoromethanesulfonic acid gave good agreement between the observed and calculated spectra, particularly with regard to the methyl and sulfonate groups. The model accounts for the large widths of the asymmetric S-O stretch modes; however, the external mode region is not well described. Together, these observations suggest that the basic model of four molecules in the primitive unit cell, linked by hydrogen bonding into chains, is correct, but that MSA crystallizes in a different space group than that of trifluoromethanesulfonic acid.

Detection of Interfacial Structures of Poly(ethylene glycol), Poly(propylene glycol) and Their Copolymers at Liquid/Solid Interfaces Using Sum Frequency Generation Vibrational Spectroscopy

2003 ◽  
Vol 790 ◽  
Author(s):  
Chunyan Chen ◽  
Jie Wang ◽  
Mark A. Even ◽  
Zhan Chen
Keyword(s):  
Ethylene Glycol ◽  
Vibrational Spectroscopy ◽  
Molecular Level ◽  
Fused Silica ◽  
Methyl Groups ◽  
Poly Ethylene Glycol ◽  
Sum Frequency ◽  
Interfacial Structures ◽  
Poly Ethylene ◽  
Poly Propylene

ABSTRACTWe have applied sum frequency generation (SFG) vibrational spectroscopy, a submonolayer surface sensitive analytical technique, to study interfacial structures of poly (ethylene glycol) (PEG), poly (propylene glycol) (PPG), their solutions, their copolymers, and copolymer solutions while contacting different media including air, fused silica, and various polymers.For the first time, conformations of polyether materials at various interfaces have been shown at the molecular level in situ. Depending on the hydrophobicity of the solid contacting media, the liquid polymers PEG and PPG show different conformations at different interfaces, which can be correlated to molecular interactions at these interfaces. The favorable interaction between hydrophobic media and the hydrophobic segments, methylene or methyl groups, of polyethers causes an ordered conformation with these groups standing up at the interface. The unfavorable interaction between hydrophilic media and hydrophobic segments of the polyethers induces interfacial methylene or methyl groups to have a random structure or to lie down at the interfaces, indicated by the weakening or even absence of SFG signals. For comparison, interfaces between aqueous PEG or PPG solutions and air, polystyrene (PS), poly(methyl methacrylate) (PMMA), and fused silica have also been investigated. In addition, we have studied conformations of pluronics at various interfaces, showing that different blocks have different interface activities. The interfaces are always dominated by the PPG segments. The studies on molecular level interfacial structures of PEG, PPG and pluronics will help us to understand and control the interfacial behavior of liquids at interfaces.

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