Competing factors on the frequency separation between the OH stretching modes in water

Zhang C, Guidoni L, Kühne TD (2015)

Publication Type: Journal article

Publication year: 2015

Journal

Journal of Molecular Liquids Elsevier

Book Volume: 205

Pages Range: 42-45

DOI: 10.1016/j.molliq.2014.09.049

Abstract

Recent simulations demonstrated that the inhomogeneous broadening as observed in the vibrational spectra of liquid water at ambient conditions can be viewed as a large vibrational splitting of symmetric and asymmetric OH stretching modes, due to the asymmetry of the local hydrogen-bonding network [J. Phys. Chem. Lett., 2013, 4(19), pp 3245-3250]. In this work, we show that the finite temperature and the liquid phase do not only modulate the local hydrogen-bonding asymmetry of water molecules, but also the intramolecular coupling strength. These two factors compete together in the determination of the overall magnitude of the frequency separation between the two OH stretching modes in water at ambient conditions.

Involved external institutions

Johannes Gutenberg-Universität Mainz (JGU) DE Germany (DE) Università degli studi "La Sapienza" IT Italy (IT)

How to cite

APA:

Zhang, C., Guidoni, L., & Kühne, T.D. (2015). Competing factors on the frequency separation between the OH stretching modes in water. Journal of Molecular Liquids, 205, 42-45. https://dx.doi.org/10.1016/j.molliq.2014.09.049

MLA:

Zhang, Chao, Leonardo Guidoni, and Thomas D. Kühne. "Competing factors on the frequency separation between the OH stretching modes in water." Journal of Molecular Liquids 205 (2015): 42-45.

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