Proton transfer through hydrogen bonds in two-dimensional water layers: A theoretical study based on ab initio and quantum-classical simulations

2015 ◽  
Vol 142 (4) ◽  
pp. 044701 ◽  
Author(s):  
Arindam Bankura ◽  
Amalendu Chandra
Keyword(s):  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Ab Initio ◽  
Theoretical Study ◽  
Two Dimensional ◽  
Water Layers

Two-dimensional sheet based on C–H···N hydrogen bonds within an organic cocrystal: a crystallographic, spectroscopic and theoretical study

2015 ◽  
Vol 27 (7-8) ◽  
pp. 465-470 ◽  
Author(s):  
Dylan Kimball ◽  
James Starnes ◽  
Ryan H. Groeneman ◽  
Herman R. Krueger ◽  
Eric W. Reinheimer
Keyword(s):  
Hydrogen Bonds ◽  
Theoretical Study ◽  
Two Dimensional

Bis{4-[(4-pyridyl)ethenyl]pyridinium} 4-sulfonatobenzoate trihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. o1529-o1531 ◽  
Author(s):  
Li-Ping Zhang ◽  
Long-Guan Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
One Dimensional ◽  
Π Stacking ◽  
Dimensional Network ◽  
Hydrogen Bonded

In the crystal structure of the title organic proton-transfer complex, 2C12H11N2 +·C7H4O5S2−·3H2O, the cations form one-dimensional chains via intermolecular N—H...N hydrogen bonds and these chains, in turn, form a two-dimensional network through π–π stacking interactions. In addition, the anions and water molecules are connected into a two-dimensional hydrogen-bonded network through intermolecular O—H...O hydrogen bonds. The two motifs result in sheets of cations and anions stacked alternately.

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