Journal ArticleDOI
Infrared Cavity Ringdown Spectroscopy of the Water Cluster Bending Vibrations
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TLDR
In this paper, the first measurement of water monomer bending vibrations in gaseous (H2O)n clusters was reported, which provides a measure of the monomer distortion that accompanies sequential hydrogen bond formation, which is valuable for the construction of potential energy surfaces for describing water.Abstract:
We report the first measurement of water monomer bending vibrations in gaseous (H2O)n clusters. Infrared cavity ringdown spectroscopy reveals discrete and sequentially blue-shifted bands near 6 μm for n = 2−4 and unresolved broad features for n > 4, supporting both theoretical predictions and solid-state spectroscopy results. These measurements provide a measure of the monomer distortion that accompanies sequential hydrogen bond formation, which will be valuable for the construction of potential energy surfaces for describing water.read more
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Noncovalent interactions: a challenge for experiment and theory
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Water clusters: Untangling the mysteries of the liquid, one molecule at a time
TL;DR: Detailed terahertz laser vibration-rotation-tunneling spectra and mid-IR laser spectra are compiled for several isotopomers of small (dimer through hexamer) water clusters to quantify the structures, force fields, dipole moments, and hydrogen bond rearrangement dynamics in these clusters.
Journal ArticleDOI
Infrared Spectroscopy of Size-Selected Water and Methanol Clusters
Udo Buck,Friedrich Huisken +1 more
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Development of a "First Principles" Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient.
TL;DR: The development of a "first principles" water potential with flexible monomers (MB-pol) for molecular simulations of water systems from gas to condensed phases and the comparison of the calculated vibration-rotation tunneling spectrum and second virial coefficient with the corresponding experimental results demonstrates the accuracy of the MB-pol dimer potential energy surface.
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The water trimer.
TL;DR: This paper presents a meta-modelling study of the dynamic response of the HBNR, which automates the very labor-intensive and therefore time-heavy and expensive process of H-Bond Network Rearrangement-related cell reprograming.
References
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Journal ArticleDOI
Ab initio studies of cyclic water clusters (H2O)n, n=1–6. I. Optimal structures and vibrational spectra
TL;DR: In this article, the optimal structures and harmonic vibrational frequencies of cyclic water clusters, (H2O)n, have been determined at the Hartree-Fock and second order perturbation theory (for n=2-4) levels of theory with an augmented correlation consistent double zeta basis set.
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Optical constants of water in the infrared
Harry D. Downing,Dudley Williams +1 more
TL;DR: Williams, J.R.Rusk, D.W.Robertson and D.Williams, the authors Am.Opt.Soc. Am.61, 895 (1971).
Journal ArticleDOI
Infrared spectroscopy of small size‐selected water clusters
TL;DR: In this article, the absorption behavior of small water clusters was studied using infrared molecular beam depletion and fragment spectroscopy. But the spectral region between 3300 and 3800 cm−1 was covered with an injection-seeded optical parametric oscillator.
Journal ArticleDOI
The infrared predissociation spectra of water clusters
TL;DR: In this article, the infrared predissociation spectra of water clusters were measured in the frequency range 3000-3800 cm−1 using a molecular beam-color center laser apparatus.
Journal ArticleDOI
The infrared spectra of amorphous solid water and ice Ic between 10 and 140 K
TL;DR: In this article, the optical constants of amorphous solid water were determined at 10 K and 80 K from a Kramers-Kronig analysis of the transmission spectra taking into account reflection and interference losses.
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