The single donator-single acceptor hydrogen bonding structure in water probed by Raman spectroscopy

Sun, Qiang

doi:doi:10.1063/1.3308496

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Carrier transport simulation in a model liquid crystalline system with the biaxial Gay–Berne potential

In this paper, we performed carrier transport simulation to understand the unusual temperature dependence of the carrier mobility observed in nematic liquid crystals. For this purpose, we made a model liquid crystalline system consisting of biaxial Gay–Berne particles, and then we simulated hopping transport between these particles. The hopping rate was formulated suitably for the biaxial Gay–Berne particles based on the investigation of the electronic overlaps between actual aromatic molecules...

Radiation chemistry in ammonia-water ices

We studied the effects of 100 keV proton irradiation on films of ammonia-water mixtures between 20 and 120 K. Irradiation destroys ammonia, leading to the formation and trapping of H2, N2, NO, and N2O, the formation of cavities containing radiolytic gases, and ejection of molecules by sputtering. Using infrared spectroscopy, we show that at all temperatures the destruction of ammonia is substantial, but at higher temperatures (120 K), it is nearly complete ( ∼ 97% destroyed) after a fluence of ...

In this work, the Raman spectra of aqueous C₁₂E₅ solutions are recorded and utilized to demonstrate the existence of single donator-single acceptor (DA) hydrogen bonding in water. From Raman OH stretching bands of aqueous C₁₂E₅ solutions, the relative intensity of 3430 cm⁻¹ subband increases with C₁₂E₅ concentrations. For confined water, the DA hydrogen bonding can be expected to be the important hydrogen bonding species. Therefore, the 3430 cm⁻¹ component can be ascribed to OH vibration engaged in DA hydrogen bonding. This is in agreement with our recent explanation on Raman OH stretching band of water. For water at ambient conditions, the double donor-double acceptor (DDAA) and DA should be the dominant hydrogen bonding species, the ratio of DDAA to DA can be approximately to be 0.75:1, and the mean hydrogen bonding can be determined to be 2.75.

Article Outline

INTRODUCTION
EXPERIMENTAL
DISCUSSION
CONCLUSIONS

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KEYWORDS and PACS

Keywords

charge exchange, hydrogen bonds, Raman spectra, vibrational states, water

PACS

33.20.Fb

Raman and Rayleigh spectra (including optical scattering)
33.15.Fm

Bond strengths, dissociation energies
33.20.Tp

Vibrational analysis
34.70.+e

Charge transfer

ARTICLE DATA

Digital Object Identifier

http://dx.doi.org/10.1063/1.3308496

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0021-9606 (print)

1089-7690 (online)

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American Institute of Physics

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