Studies of the stability of negatively charged water clusters

1984 ◽  
Vol 88 (17) ◽  
pp. 3818-3820 ◽  
Author(s):  
Neil R. Kestner ◽  
Joshua Jortner
Keyword(s):  
Water Clusters ◽  
The Stability ◽  
Charged Water

Water Binding Stabilizes Stacked Conformations of Ferrocene Containing Sheet-like Aromatic Oligoamides

2021 ◽  
Author(s):  
Ya-zhou Liu ◽  
Xiao Mu ◽  
Chieh-Kai Chan ◽  
Koen Robeyns ◽  
Cheng-Chung Wang ◽  
...  
Keyword(s):  
Essential Role ◽  
Water Clusters ◽  
Water Binding ◽  
Biological Structures ◽  
The Stability

While water clusters play an essential role in the stability of biological structures, their ability to stabilize synthetic oligomers is less understood. We have synthesized a heptameric sheet-like aromatic oligoamide...

Infrared spectroscopy of negatively charged water clusters: Evidence for a linear network

1999 ◽  
Vol 110 (13) ◽  
pp. 6268-6277 ◽  
Author(s):  
Patrick Ayotte ◽  
Gary H. Weddle ◽  
Christopher G. Bailey ◽  
Mark A. Johnson ◽  
Fernando Vila ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Water Clusters ◽  
Linear Network ◽  
Charged Water

Small Charged Water Clusters:  Cations

1999 ◽  
Vol 103 (17) ◽  
pp. 3285-3288 ◽  
Author(s):  
Yulia V. Novakovskaya ◽  
Nikolai F. Stepanov
Keyword(s):  
Water Clusters ◽  
Charged Water

Geometrical H/D Isotope Effect on Hydrogen Bonds in Charged Water Clusters

2005 ◽  
Vol 127 (34) ◽  
pp. 11908-11909 ◽  
Author(s):  
Masanori Tachikawa ◽  
Motoyuki Shiga
Keyword(s):  
Hydrogen Bonds ◽  
Isotope Effect ◽  
Water Clusters ◽  
Charged Water

Triply charged water clusters

1988 ◽  
Vol 150 (3-4) ◽  
pp. 227-230 ◽  
Author(s):  
Pieter J. De Lange ◽  
Bernd R. Veenstra ◽  
Jan Kommandeur
Keyword(s):  
Water Clusters ◽  
Charged Water

scholarly journals Thermal stability of water polyhedra with square faces

2021 ◽  
Author(s):  
Sergey V. Gudkovskikh ◽  
Mikhail Kirov
Keyword(s):  
Surface Defects ◽  
Water Clusters ◽  
Cluster Center ◽  
Hydrogen Atoms ◽  
Two Factors ◽  
Different Temperatures ◽  
Proton Disorder ◽  
The Stability ◽  
Stability Of Water ◽  
Amoeba Force Field

Abstract The ability to form numerous crystalline modifications of ice and gas hydrate frameworks is a characteristic feature of water. In fact, this structural variety is much wider due to the proton disorder. Configurations with different arrangements of hydrogen atoms (protons) in hydrogen bonds are not equivalent in their properties. Polyhedral water clusters are convenient objects for studying the effect of proton disorder on the properties of ice-like systems. It was previously established that the stability of water polyhedra is determined by the competition of two factors. The geometric factor gives preference to tetrahedrally coordinated structures with a large number of pentagonal faces. The topological factor takes into account the number of energetically most favorable types of H-bonds. This number increases with the number of square faces. It was found that tetrahedrally coordinated structures are not the most stable. However, these calculations were performed without taking thermal effects into account [Kirov M. V., J. Phys. Chem. A, 2020, 124, 4463−4470]. The purpose of the present article is to study the structural stability of various water polyhedra at different temperatures. In the course of modeling, using the Amoeba force field, the advantage of configurations with a large number of square faces is demonstrated. The structure and energetics of surface defects are studied. Several very stable structures of unusual shape were found, including polyhedra which contain 4-coordinated molecules and polyhedra whose O–H groups are directed to the cluster center. The comparative analysis of cluster stability includes the temperature intervals of melting-like transitions.

scholarly journals Proton transfer in acetaldehyde–water clusters mediated by a single water molecule

2016 ◽  
Vol 18 (36) ◽  
pp. 25569-25573 ◽  
Author(s):  
Oleg Kostko ◽  
Tyler P. Troy ◽  
Biswajit Bandyopadhyay ◽  
Musahid Ahmed
Keyword(s):  
Water Molecule ◽  
Proton Transfer ◽  
Water Clusters ◽  
The Stability ◽  
Single Water Molecule

Bridging molecules: a single water molecule enhances the stability of symmetric acetaldehyde water clusters, and acts as a bridge for the transport of a proton between two acetaldehyde molecules.

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