Local structure and hydrogen bond characteristics of imidazole molecules for proton conduction in acid and base proton-conducting composite materials

2018 ◽  
Vol 20 (15) ◽  
pp. 10311-10318 ◽  
Author(s):  
Yuta Hori ◽  
Takuma Chikai ◽  
Tomonori Ida ◽  
Motohiro Mizuno
Keyword(s):  
Hydrogen Bond ◽  
Composite Materials ◽  
Hydrogen Bonds ◽  
Rotational Motion ◽  
Local Structure ◽  
Proton Conduction ◽  
Conducting Composite ◽  
Proton Conducting ◽  
Acid And Base ◽  
Bond Characteristics

Protons in composite materials of acidic polymers and imidazole molecules transport with rotational motion of imidazole in hydrogen bonds.

scholarly journals Local structure and vibrational dynamics of proton conducting Ba2In2O5(H2O)x

2019 ◽  
Vol 7 (29) ◽  
pp. 17626-17636 ◽  
Author(s):  
A. Perrichon ◽  
M. Jiménez-Ruiz ◽  
L. Mazzei ◽  
S. M. H. Rahman ◽  
M. Karlsson
Keyword(s):  
Local Structure ◽  
Conduction Mechanism ◽  
Proton Conduction ◽  
Proton Conductors ◽  
Vibrational Dynamics ◽  
Proton Conducting

Studies of partially and fully hydrated Ba2In2O5(H2O)xproton conductors point toward segregation into pseudo-cubic and brownmillerite-type phases and a highly anisotropic proton conduction mechanism.

Study of Imidazole-Based Proton-Conducting Composite Materials Using Solid-State NMR

2005 ◽  
Vol 17 (6) ◽  
pp. 1605-1612 ◽  
Author(s):  
S. R. Benhabbour ◽  
R. P. Chapman ◽  
G. Scharfenberger ◽  
W. H. Meyer ◽  
G. R. Goward
Keyword(s):  
Composite Materials ◽  
Solid State ◽  
Solid State Nmr ◽  
Conducting Composite ◽  
Proton Conducting

scholarly journals A quantum crystallographic approach to short hydrogen bonds

CrystEngComm ◽  
2021 ◽  
Author(s):  
Lucy K. Saunders ◽  
Anuradha R. Pallipurath ◽  
Matthias J. Gutmann ◽  
Harriott Nowell ◽  
Ningjin Zhang ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ab Initio ◽  
Electron Density ◽  
Short Hydrogen Bond ◽  
Atom Position ◽  
Short Hydrogen Bonds ◽  
Bond Characteristics

Mapped electron density and ab initio modelling reveal how H-atom position and molecular environment tune short hydrogen bond characteristics and properties.

scholarly journals Crystal structures of two hydrogen-bonded compounds of chloranilic acid–ethyleneurea (1/1) and chloranilic acid–hydantoin (1/2)

2018 ◽  
Vol 74 (12) ◽  
pp. 1727-1730 ◽  
Author(s):  
Kazuma Gotoh ◽  
Hiroyuki Ishida
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Layer Structure ◽  
Asymmetric Unit ◽  
Acid Base ◽  
Chloranilic Acid ◽  
Base Interaction ◽  
Acid And Base ◽  
Acid Base Interaction ◽  
Hydrogen Bonded

The structures of the hydrogen-bonded 1:1 co-crystal of chloranilic acid (systematic name: 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone) with ethyleneurea (systematic name: imidazolidin-2-one), C6H2Cl2O4·C3H6N2O, (I), and the 1:2 co-crystal of chloranilic acid with hydantoin (systematic name: imidazolidine-2,4-dione), C6H2Cl2O4·2C3H4N2O2, (II), have been determined at 180 K. In the crystals of both compounds, the base molecules are in the lactam form and no acid–base interaction involving H-atom transfer is observed. The asymmetric unit of (I) consists of two independent half-molecules of chloranilic acid, with each of the acid molecules lying about an inversion centre, and one ethyleneurea molecule. The asymmetric unit of (II) consists of one half-molecule of chloranilic acid, which lies about an inversion centre, and one hydantoin molecule. In the crystal of (I), the acid and base molecules are linked via O—H...O and N—H...O hydrogen bonds, forming an undulating sheet structure parallel to the ab plane. In (II), the base molecules form an inversion dimer via a pair of N—H...O hydrogen bonds, and the base dimers are further linked through another N—H...O hydrogen bond into a layer structure parallel to (\overline{1}01). The acid molecule and the base molecule are linked via an O—H...O hydrogen bond.

Proton-Conducting Composite Materials Based on the Cs6H(HSO4)3(H2PO4)4 Compound

2019 ◽  
Vol 61 (12) ◽  
pp. 2382-2385
Author(s):  
V. A. Komornikov ◽  
V. V. Grebenev ◽  
I. S. Timakov ◽  
O. B. Zainullin
Keyword(s):  
Composite Materials ◽  
Conducting Composite ◽  
Proton Conducting

Proton conducting composite materials at intermediate temperatures

1995 ◽  
Vol 167 (1) ◽  
pp. 1-8 ◽  
Author(s):  
Bin Zhu ◽  
Bengt-Erik Mellander
Keyword(s):  
Composite Materials ◽  
Conducting Composite ◽  
Proton Conducting

Proton conducting composite materials containing heteropoly acid and matrices

2013 ◽  
Vol 143 (1) ◽  
pp. 355-359 ◽  
Author(s):  
Xia Tong ◽  
Wen Wu ◽  
Qingyin Wu ◽  
Fahe Cao ◽  
Wenfu Yan ◽  
...  
Keyword(s):  
Composite Materials ◽  
Heteropoly Acid ◽  
Conducting Composite ◽  
Proton Conducting

Hydrogen bonds in N-(3-chloro-2-benzo[b]thienocarbonyl)- and N-(2-benzo[b]thienocarbonyl)-N'-monosubstituted thioureas

1987 ◽  
Vol 52 (11) ◽  
pp. 2673-2679 ◽  
Author(s):  
Oľga Hritzová ◽  
Peter Kutschy ◽  
Ján Imrich ◽  
Thomas Schöffmann
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Strong Hydrogen Bond ◽  
Cyclic Form ◽  
Thiourea Derivatives

N-(3-Chloro-2-benzo[b]thienocarbonyl)-N'-monosubstituted thiourea derivatives undergo photocyclizations with lower yields than those obtained from analogous N',N'-disubstituted derivatives. This decreased reactivity is caused by the existence of a six-membered cyclic form with the very strong hydrogen bond NH···O=C. The possibility of formation of various conformers has been found with N-(2-benzo[b]thienocarbonyl)-N'-monosubstituted thiourea derivatives as a consequence of the rotation around the C(2)-C(O) connecting line.

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