Controllable Density of Atomic Bromine in a Two-Dimensional Hydrogen Bond Network

2018 ◽  
Vol 122 (44) ◽  
pp. 25681-25684 ◽  
Author(s):  
Jianchen Lu ◽  
Zilin Ruan ◽  
Yurou Guan ◽  
De-Liang Bao ◽  
Xiao Lin ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Two Dimensional ◽  
Hydrogen Bond Network ◽  
Bond Network

Anomalous proton conduction behavior across a nanoporous two-dimensional conjugated aromatic polymer membrane

2020 ◽  
Vol 22 (5) ◽  
pp. 2978-2985
Author(s):  
Le Shi ◽  
Zhixuan Ying ◽  
Ao Xu ◽  
Yonghong Cheng
Keyword(s):  
Hydrogen Bond ◽  
Atomic Structure ◽  
Proton Conduction ◽  
Polymer Membrane ◽  
Water Molecules ◽  
Two Dimensional ◽  
Hydrogen Bond Network ◽  
Aromatic Polymer ◽  
Conduction Behavior ◽  
Bond Network

The unique atomic structure of 2D-CAP can induce the formation of a stable local hydrogen bond network, thus restraining the motion of involved water molecules and impeding proton penetration.

The weakly coordinating perchlorate group in bis(N,N′-dimethylethylenediamine-κ2N,N′)bis(perchlorato-κO)copper(II) studied at 100, 250 and 400 K

2012 ◽  
Vol 68 (9) ◽  
pp. m251-m254 ◽  
Author(s):  
Silvia Schnitzler ◽  
Mihaela-Diana Şerb ◽  
Ulli Englert
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Two Dimensional ◽  
Hydrogen Bond Network ◽  
Distorted Octahedral ◽  
Jahn Teller ◽  
Mode Characteristic ◽  
Bond Network ◽  
Complex Forms

The crystal structure of the title compound, [Cu(ClO4)2(C4H12N2)2], (I), is reported at 100, 250 and 400 K. The CuIIcation in this complex is coordinated in a distorted octahedral mode characteristic of Jahn–Teller systems. The coordination of the perchlorate ligandsvialonger, and presumably weaker, axial Cu—O distances varies significantly as a function of temperature. One of the Cu—O distances increases between 100 and 250 K, and one of the Cu—O—Cl angles expands between 250 and 400 K. At all temperatures, the complex forms a two-dimensional N—H...O hydrogen-bond network in the (001) plane.

Pressure Induced Topochemical Polymerizationof Solid Acryalmide Facilitated by Anisotropic Response of Hydrogen Bond Network

2020 ◽  
Author(s):  
Sayan Maiti ◽  
Abhijeet Sadashiv Gangan ◽  
Ashwini Anshu ◽  
Rashid Rafeek V. Valappil ◽  
Brahmananda Chakraborty ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Two Dimensional ◽  
Hydrogen Bond Network ◽  
Functional Theory ◽  
Chemical Changes ◽  
Crystalline Polymers ◽  
Bond Network ◽  
Low Pressures ◽  
Measured Pressure ◽  
Hydrogen Bonded

<p>The pressure induced polymerization of molecular</p> <p>solids is an appealing route to obtain pure,</p> <p>crystalline polymers without the need for radical</p> <p>initiators. Here, we report a detailed density</p> <p>functional theory (DFT) based study of the</p> <p>structural and chemical changes that occur in</p> <p>defect free solid acrylamide, a hydrogen bonded</p> <p>crystal, when it is subjected to hydrostatic pressures.</p> <p>Our calculations predict a polymerization</p> <p>pressure of 94 GPa, in contrast to experimental</p> <p>estimates of 17 GPa, while being able</p> <p>to reproduce the experimentally measured pressure</p> <p>dependent spectroscopic features. Interestingly,</p> <p>we find that the two-dimensional hydrogen</p> <p>bond network templates a topochemical</p> <p>polymerization by aligning the atoms through</p> <p>an anisotropic response at low pressures. This</p> <p>results not only in conventional C-C, but also</p> <p>unusual C-O polymeric linkages, as well as a</p> <p>new hydrogen bonded framework, with both NH...</p> <p>O and C-H...O bonds.</p>

Pressure Induced Topochemical Polymerizationof Solid Acryalmide Facilitated by Anisotropic Response of Hydrogen Bond Network

2020 ◽  
Author(s):  
Sayan Maiti ◽  
Abhijeet Sadashiv Gangan ◽  
Ashwini Anshu ◽  
Rashid Rafeek V. Valappil ◽  
Brahmananda Chakraborty ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Two Dimensional ◽  
Hydrogen Bond Network ◽  
Functional Theory ◽  
Chemical Changes ◽  
Crystalline Polymers ◽  
Bond Network ◽  
Low Pressures ◽  
Measured Pressure ◽  
Hydrogen Bonded

<p>The pressure induced polymerization of molecular</p> <p>solids is an appealing route to obtain pure,</p> <p>crystalline polymers without the need for radical</p> <p>initiators. Here, we report a detailed density</p> <p>functional theory (DFT) based study of the</p> <p>structural and chemical changes that occur in</p> <p>defect free solid acrylamide, a hydrogen bonded</p> <p>crystal, when it is subjected to hydrostatic pressures.</p> <p>Our calculations predict a polymerization</p> <p>pressure of 94 GPa, in contrast to experimental</p> <p>estimates of 17 GPa, while being able</p> <p>to reproduce the experimentally measured pressure</p> <p>dependent spectroscopic features. Interestingly,</p> <p>we find that the two-dimensional hydrogen</p> <p>bond network templates a topochemical</p> <p>polymerization by aligning the atoms through</p> <p>an anisotropic response at low pressures. This</p> <p>results not only in conventional C-C, but also</p> <p>unusual C-O polymeric linkages, as well as a</p> <p>new hydrogen bonded framework, with both NH...</p> <p>O and C-H...O bonds.</p>

Pressure Induced Topochemical Polymerizationof Solid Acryalmide Facilitated by Anisotropic Response of Hydrogen Bond Network

2020 ◽  
Author(s):  
Sayan Maiti ◽  
Abhijeet Sadashiv Gangan ◽  
Ashwini Anshu ◽  
Rashid Rafeek V. Valappil ◽  
Brahmananda Chakraborty ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Two Dimensional ◽  
Hydrogen Bond Network ◽  
Functional Theory ◽  
Chemical Changes ◽  
Crystalline Polymers ◽  
Bond Network ◽  
Low Pressures ◽  
Measured Pressure ◽  
Hydrogen Bonded

<p>The pressure induced polymerization of molecular</p> <p>solids is an appealing route to obtain pure,</p> <p>crystalline polymers without the need for radical</p> <p>initiators. Here, we report a detailed density</p> <p>functional theory (DFT) based study of the</p> <p>structural and chemical changes that occur in</p> <p>defect free solid acrylamide, a hydrogen bonded</p> <p>crystal, when it is subjected to hydrostatic pressures.</p> <p>Our calculations predict a polymerization</p> <p>pressure of 94 GPa, in contrast to experimental</p> <p>estimates of 17 GPa, while being able</p> <p>to reproduce the experimentally measured pressure</p> <p>dependent spectroscopic features. Interestingly,</p> <p>we find that the two-dimensional hydrogen</p> <p>bond network templates a topochemical</p> <p>polymerization by aligning the atoms through</p> <p>an anisotropic response at low pressures. This</p> <p>results not only in conventional C-C, but also</p> <p>unusual C-O polymeric linkages, as well as a</p> <p>new hydrogen bonded framework, with both NH...</p> <p>O and C-H...O bonds.</p>

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