A first principles investigation of water dipole moment in a defective continuous hydrogen bond network

2009 ◽  
Vol 130 (2) ◽  
pp. 024502 ◽  
Author(s):  
Roberto Scipioni ◽  
Diedrich A. Schmidt ◽  
Mauro Boero
Keyword(s):  
Hydrogen Bond ◽  
Dipole Moment ◽  
First Principles ◽  
Hydrogen Bond Network ◽  
Bond Network ◽  
Water Dipole

Pressure induced topochemical polymerization of solid acrylamide facilitated by anisotropic response of the hydrogen bond network

2021 ◽  
Vol 23 (15) ◽  
pp. 9448-9456
Author(s):  
Sayan Maity ◽  
Abhijeet S. Gangan ◽  
Ashwini Anshu ◽  
Rashid Rafeek V. Valappil ◽  
Brahmananda Chakraborty ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
First Principles ◽  
Room Temperature ◽  
Hydrogen Bond Network ◽  
Topochemical Polymerization ◽  
Bond Network

Our first-principles studies reveal the mechanism of pressure-induced polymerization in solid acrylamide. Pressure not only drives a topochemical mechanism but also lowers the polymerization barrier at room temperature.

Halides of Macrocyclic Silver(II) Complexes: Crystal Structures with Hydrogen Bond Network and Reaction Kinetics of the Decomposition

2021 ◽  
pp. 120431
Author(s):  
Akinori Honda ◽  
Shunta Kakihara ◽  
Shuhei Ichimura ◽  
Kazuaki Tomono ◽  
Mina Matsushita ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Reaction Kinetics ◽  
Crystal Structures ◽  
Hydrogen Bond Network ◽  
Bond Network ◽  
Kinetics Of

scholarly journals Hydrogen‐Bond Network Determines the Early Photoisomerization of Cph1 and AnPixJ Phytochromes

2021 ◽  
Author(s):  
Xiang-Yang Liu ◽  
Teng-Shuo Zhang ◽  
Qiu Fang ◽  
Wei-Hai Fang ◽  
Leticia González ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bond Network ◽  
Bond Network

Supramolecular assembling using synthons with NH—CO(S)—CS—NH and NH—CO—CO—NH functionalities: crystal structures of (S,S)-N,N′-monothiooxalyldileucine methyl ester and its dithio analogue

2004 ◽  
Vol 60 (1) ◽  
pp. 90-96 ◽  
Author(s):  
Biserka Kojić-Prodić ◽  
Berislav Perić ◽  
Zoran Štefanić ◽  
Anton Meden ◽  
Janja Makarević ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Methyl Ester ◽  
Crystal Structures ◽  
Hydrogen Bond Network ◽  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Bond Network ◽  
Bonding Systems

To compare the structural properties of oxalamide and thiooxalamide groups in the formation of hydrogen bonds suitable for supramolecular assemblies a series of retropeptides was studied. Some of them, having oxalamide bridges, are gelators of organic solvents and water. However, retropeptides with oxygen replaced by the sp 2 sulfur have not exhibited such properties. The crystal structures of the two title compounds are homostructural, i.e. they have similar packing arrangements. The monothio compound crystallizes in the orthorhombic space group P212121 with two molecules in the asymmetric unit arranged in a hydrogen-bond network with an approximate 41 axis along the crystallographic b axis. However, the dithio and dioxo analogues crystallize in the tetragonal space group P41 with similar packing patterns and hydrogen-bonding systems arranged in agreement with a crystallographic 41 axis. Thus, these two analogues are isostructural having closely related hydrogen-bonding patterns in spite of the different size and polarity of oxygen and sulfur which serve as the proton acceptors.

Hydrogen bond network-stabilisation of blue phases by addition of a chiral N-(10-hydroxydecyl)succinimide derivative and alkane diols

2017 ◽  
Vol 44 (8) ◽  
pp. 1332-1339 ◽  
Author(s):  
Keiki Kishikawa ◽  
Yuki Furukawa ◽  
Tomohiro Watanabe ◽  
Michinari Kohri ◽  
Tatsuo Taniguchi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bond Network ◽  
Blue Phases ◽  
Bond Network
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