A neutron diffraction study of potassium and rubidium hydrogen oxydiacetate. The dynamics of their hydrogen bonds

1973 ◽  
Vol 29 (12) ◽  
pp. 2751-2760 ◽  
Author(s):  
J. Albertsson ◽  
I. Grenthe
Keyword(s):  
Hydrogen Bonds ◽  
Neutron Diffraction ◽  
Diffraction Study ◽  
Neutron Diffraction Study

A neutron diffraction study of mercury(II)chromate hemihydrate, HgCrO4 · 1/2 H2O

1975 ◽  
Vol 142 (3-4) ◽  
Author(s):  
Karin Aurivillius ◽  
Claes Stålhandske
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Neutron Diffraction ◽  
Water Molecule ◽  
Diffraction Study ◽  
Neutron Diffraction Study ◽  
Mercury Atom ◽  
Building Elements ◽  
Oxygen Atoms

AbstractThe crystal structure of mercury(II)chromate hemihydrate, HgCrOThe mercury atom is bonded only to two oxygen atoms, each belonging to a separate Chromate tetrahedron, at the distances 2.055(2) and 2.064(2) Å, the angle O–Hg–O being 179.95(5)°. As each Chromate group is bonded to two mercury atoms, fundamental building elements of the structure are endless chains of the composition (HgCrOIn the water molecule the distances O(W)–H (2 × ) and H–H are 0.945(4) and 1.487(6) Å respectively. The angle H–O(W)–H is 103.7(4)°. In the hydrogen bonds the distance O(W)–H…O between water and Chromate oxygen atoms is 2.961(2) Å with a distance H…O of 2.133(4) Å and an angle O(W)–H…O of 145.6(3)°.

Hydrogen-bond network in cyclodecaamylose hydrate at 20 K; neutron diffraction study of novel structural motifs band-flip and kink in α-(1→4)-D-glucoside oligosaccharides

2001 ◽  
Vol 57 (6) ◽  
pp. 833-841 ◽  
Author(s):  
K. Imamura ◽  
O. Nimz ◽  
J. Jacob ◽  
D. Myles ◽  
S. A. Mason ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Neutron Diffraction ◽  
Diffraction Study ◽  
Structure Refinement ◽  
Neutron Diffraction Study ◽  
The Other ◽  
Water Molecules ◽  
Hydroxyl Groups ◽  
Neutron Density ◽  
Asymmetric Unit

A single-crystal neutron diffraction study of cyclodecaamylose (CA10) was carried out at 20 K. CA10 crystallizes with 27.18 water molecules [(C6H10O5)10·27.18H2O] in space group C2 with unit-cell constants a = 29.31 (5), b = 9.976 (10), c = 19.34 (2) Å, β = 121.07 (2)°. The asymmetric unit contains a half molecule of CA10 and 13.59 water molecules, the other half being related by a crystallographic twofold rotation axis. All H atoms except two water H atoms could be located from difference neutron-density maps; structure refinement converged at R = 0.635. Two of the five CH2—O6 groups and one of the 15 O2, O3 hydroxyl groups of CA10 are twofold orientationally disordered. A total of 13.59 water molecules in the asymmetric unit are distributed over 23 positions; 20 of which are in the CA10 cavity, and the other three occupy intermolecular interstices. Of the 123 symmetry-independent hydrogen bonds, 25 (= 20%) are three-centered and 7 (= 6%) are four-centered. Water molecules and O—H groups of CA10 form an extended network with cooperative O—H...O—H...O—H hydrogen bonds. They are arranged in 11 polygons with three, four, five, six and eight O—H bonds and in homodromic, antidromic and heterodromic arrangements. Nine polygons are located within the cavity and the others are outside.

Inner-sphere water and hydrogen bonds in lanthanide DOTAM complexes. A neutron diffraction study

2018 ◽  
Vol 470 ◽  
pp. 433-438 ◽  
Author(s):  
Gabriella Bombieri ◽  
Roberto Artali ◽  
Sax A. Mason ◽  
Garry J. McIntyre ◽  
Armando Mortillaro ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Neutron Diffraction ◽  
Diffraction Study ◽  
Neutron Diffraction Study ◽  
Inner Sphere
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