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- W2890775314 abstract "High resolution spectra, obtained for small water clusters in the Vibrational-Rotational-Tunneling spectroscopy experiments in Saykally's group, provide invaluable data that should guide us in untangling the quite elusive properties of liquid water [PNAS 98 (2001) 10533]. Recently, we suggested that the bifurcation splittings in cyclic water trimers originate from the tunneling of hydrogen bonded protons in a mean field, double well potential between two oxygen neighbors [Chem.Phys.Lett. 661 (2016) 263]. Based on the similar/corresponding pattern of splittings in cyclic water pentamers, the model developed for the trimer should be also applicable to pentamers. Assuming that pentamers are major transient components in the fluctuating hydrogen bonded network of water, the model is applied to liquid water. In this paper, we show that our 1-D model gives surprisingly good agreement with experimental 2-D spectra in the OH stretch region of liquid water, reported by Tokmakoff's group [JCP 145 (2016) 094501]. Our results strengthen the hypothesis that cyclic pentamers should be considered as transiently present in the liquid, and that their fused structures form low density liquid. We also postulate that the higher energy isomers of the pentamer contribute to high density liquid water." @default.
- W2890775314 created "2018-09-27" @default.
- W2890775314 creator A5067794655 @default.
- W2890775314 date "2019-02-01" @default.
- W2890775314 modified "2023-10-16" @default.
- W2890775314 title "From the trimer, through the pentamer, to liquid water" @default.
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- W2890775314 doi "https://doi.org/10.1016/j.molstruc.2018.09.009" @default.
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