Water Clusters:  Fascinating Hydrogen-Bonding Networks, Solvation Shell Structures, and Proton Motion

1998 ◽  
Vol 102 (31) ◽  
pp. 6201-6204 ◽  
Author(s):  
Hai-Ping Cheng
Keyword(s):  
Hydrogen Bonding ◽  
Water Clusters ◽  
Solvation Shell ◽  
Shell Structures ◽  
Hydrogen Bonding Networks

scholarly journals Infrared spectroscopy of neutral water clusters at finite temperature: Evidence for a noncyclic pentamer

2020 ◽  
Vol 117 (27) ◽  
pp. 15423-15428 ◽  
Author(s):  
Bingbing Zhang ◽  
Yong Yu ◽  
Yang-Yang Zhang ◽  
Shukang Jiang ◽  
Qinming Li ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectra ◽  
Liquid Water ◽  
Vacuum Ultraviolet ◽  
Water Clusters ◽  
Bulk Water ◽  
Infrared Spectroscopic Study ◽  
Stretching Vibration ◽  
Hydrogen Bonding Networks ◽  
Neutral Water

Infrared spectroscopic study of neutral water clusters is crucial to understanding of the hydrogen-bonding networks in liquid water and ice. Here we report infrared spectra of size-selected neutral water clusters, (H2O)n(n= 3−6), in the OH stretching vibration region, based on threshold photoionization using a tunable vacuum ultraviolet free-electron laser. Distinct OH stretch vibrational fundamentals observed in the 3,500−3,600-cm−1region of (H2O)5provide unique spectral signatures for the formation of a noncyclic pentamer, which coexists with the global-minimum cyclic structure previously identified in the gas phase. The main features of infrared spectra of the pentamer and hexamer, (H2O)n(n= 5 and 6), span the entire OH stretching band of liquid water, suggesting that they start to exhibit the richness and diversity of hydrogen-bonding networks in bulk water.

scholarly journals Understanding the structure and hydrogen bonding network of (H2O)32 and (H2O)33: an improved Monte Carlo temperature basin paving (MCTBP) method and quantum theory of atoms in molecules (QTAIM) analysis

RSC Advances ◽  
2017 ◽  
Vol 7 (30) ◽  
pp. 18401-18417 ◽  
Author(s):  
Avijit Rakshit ◽  
Takamasa Yamaguchi ◽  
Toshio Asada ◽  
Pradipta Bandyopadhyay
Keyword(s):  
Monte Carlo ◽  
Hydrogen Bonding ◽  
Quantum Theory ◽  
Liquid Water ◽  
Water Clusters ◽  
Atoms In Molecules ◽  
Qtaim Analysis ◽  
Hydrogen Bonding Networks ◽  
Hydrogen Bonding Network ◽  
Large Water

Large water clusters are of particular interest because of their connection to liquid water and the intricate hydrogen bonding networks they possess.

Interaction of Gold Atom with Clusters of Water: Few Computational Mise-En-Scènes with Hydrogen Bonding Motif

2008 ◽  
Vol 73 (11) ◽  
pp. 1457-1474 ◽  
Author(s):  
Eugene S. Kryachko
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Computational Model ◽  
Photoelectron Spectroscopy ◽  
Water Clusters ◽  
Gold Atom ◽  
Proton Acceptor ◽  
Anion Photoelectron Spectroscopy ◽  
Relationship Of ◽  
First Time

The present work outlines the fair relationship of the computational model with the experiments on anion photoelectron spectroscopy for the gold-water complexes [Au(H2O)1≤n≤2]- that is established between the auride anion Au- and water monomer and dimer thanks to the nonconventional hydrogen bond where Au- casts as the nonconventional proton acceptor. This work also extends the computational model to the larger complexes [Au(H2O)3≤n≤5]- where gold considerably thwarts the shape of water clusters and even particularly breaks their conventional hydrogen bonding patterns. The fascinating phenomenon of the lavish proton acceptor character of Au- to form at least six hydrogen bonds with molecules of water is computationally unveiled in the present work for the first time.

scholarly journals The Multiple Hydrogen-Bonding Networks of Polyol Ribitol

2018 ◽  
Vol 24 (51) ◽  
pp. 13408-13412 ◽  
Author(s):  
Isabel Peña ◽  
Maria Eugenia Sanz ◽  
Elena R. Alonso ◽  
José L. Alonso
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonding Networks ◽  
Multiple Hydrogen Bonding

Small Molecule-Based Fluorescent Organic Nanoassemblies with Strong Hydrogen Bonding Networks for Fine Tuning and Monitoring Drug Delivery in Cancer Cells

Small ◽  
2018 ◽  
Vol 14 (38) ◽  
pp. 1802307 ◽  
Author(s):  
Joanna Boucard ◽  
Camille Linot ◽  
Thibaut Blondy ◽  
Steven Nedellec ◽  
Philippe Hulin ◽  
...  
Keyword(s):  
Drug Delivery ◽  
Hydrogen Bonding ◽  
Cancer Cells ◽  
Small Molecule ◽  
Fine Tuning ◽  
Monitoring Drug ◽  
Hydrogen Bonding Networks

Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation

CrystEngComm ◽  
2016 ◽  
Vol 18 (1) ◽  
pp. 62-67
Author(s):  
Yoona Jang ◽  
Seo Yeon Yoo ◽  
Hye Rin Gu ◽  
Yu Jin Lee ◽  
Young Shin Cha ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Two Dimensional ◽  
Purine Derivatives ◽  
Guest Molecules ◽  
Π Interactions ◽  
Hydrogen Bonding Networks ◽  
Hydrogen Bonded

6-Chloro-9-propyl-purin-2-amine (pr-GCl) forms two-dimensional hydrogen-bonded networks which in turn stack via π–π interactions, leading to the formation of bilayers that can accommodate organic guest molecules.

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