Where is the Hydrogen?

Elements ◽  
2021 ◽  
Vol 17 (3) ◽  
pp. 163-168 ◽  
Author(s):  
G. Diego Gatta ◽  
Klaudia Hradil ◽  
Martin Meven
Keyword(s):  
Electrical Conductivity ◽  
Hydrogen Bonding ◽  
Neutron Diffraction ◽  
Crystal Structures ◽  
Phase Stability ◽  
Industrial Processes ◽  
Crystalline Materials ◽  
X Ray ◽  
Mineral Transformations ◽  
T Phase

How is hydrogen distributed among minerals and how is it bonded in their crystal structures? These are important questions, because the amount of hydrogen and the bonding configuration of hydrogen in crystalline materials governs many of that material’s properties: its thermal and compressional behavior, P–T phase stability, rheology, and electrical conductivity. A reliable reconstruction of the Earth’s interior, or the prediction of mineral transformations in complex industrial processes, must account for these parameters. Neutron diffraction can locate hydrogen sites in mineral structures, reveal any static or dynamic hydrogen disorder, help define the libration regime of hydrogen, and elucidate hydrogen-bonding configurations. Thus, that most elusive element for X-ray probes is perfectly detectable using neutrons.

scholarly journals The crystal structures and mechanical properties of the uranyl carbonate minerals roubaultite, fontanite, sharpite, widenmannite, grimselite and čejkaite

2020 ◽  
Vol 7 (21) ◽  
pp. 4197-4221 ◽  
Author(s):  
Francisco Colmenero ◽  
Jakub Plášil ◽  
Jiří Sejkora
Keyword(s):  
Mechanical Properties ◽  
Hydrogen Bonding ◽  
Diffraction Pattern ◽  
Crystal Structures ◽  
First Principles ◽  
X Ray Diffraction ◽  
Carbonate Minerals ◽  
X Ray ◽  
Uranyl Carbonate

The structure, hydrogen bonding, X-ray diffraction pattern and mechanical properties of six important uranyl carbonate minerals, roubaultite, fontanite, sharpite, widenmannite, grimselite and čejkaite, are determined using first principles methods.

scholarly journals High temperature phase stability in Li0.12Na0.88NbO3: A combined powder X-ray and neutron diffraction study

2015 ◽  
Vol 118 (9) ◽  
pp. 094101 ◽  
Author(s):  
S. K. Mishra ◽  
P. S. R. Krishna ◽  
A. B. Shinde ◽  
V. B. Jayakrishnan ◽  
R. Mittal ◽  
...  
Keyword(s):  
High Temperature ◽  
Neutron Diffraction ◽  
Diffraction Study ◽  
Phase Stability ◽  
Neutron Diffraction Study ◽  
High Temperature Phase ◽  
Temperature Phase ◽  
X Ray

X-ray studies on crystalline complexes involving amino acids and peptides. XL. Conformational variability, recurring and new features of aggregation, and effect of chirality in the malonic acid complexes of DL- and L-arginine

2002 ◽  
Vol 58 (6) ◽  
pp. 1051-1056 ◽  
Author(s):  
N. T. Saraswathi ◽  
M. Vijayan
Keyword(s):  
Amino Acids ◽  
Hydrogen Bonding ◽  
Amino Acid ◽  
Crystal Structures ◽  
Malonic Acid ◽  
Conformational Flexibility ◽  
X Ray ◽  
Conformational Variability ◽  
Aggregation Pattern ◽  
Positively Charged

The crystal structures of the complexes of malonic acid with DL- and L-arginine, which contain positively charged argininium ions and negatively charged semimalonate ions, further demonstrate the conformational flexibility of amino acids. A larger proportion of folded conformations than would be expected on the basis of steric consideration appears to occur in arginine, presumably because of the requirements of hydrogen bonding. The aggregation pattern in the DL-arginine complex bears varying degrees of resemblance to patterns observed in other similar structures. An antiparallel hydrogen-bonded dimeric arrangement of arginine, and to a lesser extent lysine, is a recurring motif. Similarities also exist among the structures in the interactions with this motif and its assembly into larger features of aggregation. However, the aggregation pattern observed in the L-arginine complex differs from any observed so far, which demonstrates that all the general patterns of amino-acid aggregation have not yet been elucidated. The two complexes represent cases where the reversal of the chirality of half the amino-acid molecules leads to a fundamentally different aggregation pattern.

scholarly journals Structures of (S)-(−)-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data

2006 ◽  
Vol 62 (4) ◽  
pp. 606-611 ◽  
Author(s):  
Asiloé J. Mora ◽  
Michela Brunelli ◽  
Andrew N. Fitch ◽  
Jonathan Wright ◽  
Maria E. Báez ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Direct Methods ◽  
X Ray Diffraction ◽  
Synchrotron Diffraction ◽  
X Ray ◽  
The Asymmetry

The crystal structures of the four-membered heterocycles (S)-(−)-4-oxo-2-azetidinecarboxylic acid (I) and 3-azetidinecarboxylic acid (II) were solved by direct methods using powder synchrotron X-ray diffraction data. The asymmetry of the oxoazetidine and azetidine rings is discussed, along with the hydrogen bonding.

Tautomerism and hydrogen bonding in guaninium phosphite and guaninium phosphate salts

2007 ◽  
Vol 63 (3) ◽  
pp. 448-458 ◽  
Author(s):  
El-Eulmi Bendeif ◽  
Slimane Dahaoui ◽  
Nourredine Benali-Cherif ◽  
Claude Lecomte
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
Data Sets ◽  
Hydrogen Bond Network ◽  
Space Group ◽  
X Ray ◽  
Bond Network ◽  
Phosphate Salts

The crystal structures of three similar guaninium salts, guaninium monohydrogenphosphite monohydrate, C5H6N5O+·H2O3P−·H2O, guaninium monohydrogenphosphite dihydrate, C5H6N5O+·H2O3P−·2H2O, and guaninium dihydrogenmonophosphate monohydrate, C5H6N5O+·H2O4P−·H2O, are described and compared. The crystal structures have been determined from accurate single-crystal X-ray data sets collected at 100 (2) K. The two phosphite salts are monoclinic, space group P21/c, with different packing and the monophosphate salt is also monoclinic, space group P21/n. An investigation of the hydrogen-bond network in these guaninium salts reveals the existence of two ketoamine tautomers, the N9H form and an N7H form.

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