Very short OH⋯hydrogen bond in l-histidinium difluoride
✍ Scribed by Manuela Ramos Silva; Ana Matos Beja; José A Paixão
- Book ID
- 108170260
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 275 KB
- Volume
- 125
- Category
- Article
- ISSN
- 0022-1139
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📜 SIMILAR VOLUMES
The statistical relation between intermolecular 0 . . . 0 separations and the occurrence of hydrogen bonding is described for six high-resolution neutron crystal structures of vclomalto-oligosaccharide (cyclodextrin) complexes. All 0 \* \* -0 contacts shorter than 3.0 A are actually associated with
Addendum to the previous study [Carbohydr. Res., 259 (1994) 1-12], to show that C-O • • • O coordination angles are not a useful criterion for the identification of hydrogen bonds if the H-atom positions are not known.
Proton nuclear magnctlc shxldmg tensors arc calculated for some O-H...0 hydrogen bonds. (H302); (HzO)z, and (H50~)+. The effects of charge, geometry. and bws set are stuled. Agreement ~7th single crystal p&cd NhlR evperimcnts is obtamcd. A Itneer dependence betwcn the proton chcmwal shift and the 0.