L773:0108 7681
Search: L773:0108 7681 > On hydrogen bonding...
- 49 of 52
- Previous record
- Next record
- To hitlist
- Smrcok, LubomirSlovak Academy of Sciences (author)
On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study
- Article/chapterEnglish2006
Publisher, publication year, extent ...
- 2006
Numbers
- LIBRIS-ID:oai:research.chalmers.se:80566553-9038-43b4-b8d8-a0b2849653e7
- https://doi.org/10.1107/S010876810602489XDOI
- https://research.chalmers.se/publication/22778URI
Supplementary language notes
- Language:English
- Summary in:English
Part of subdatabase
- SwePubSwePub
Classification
Notes
- The geometry of hydrogen bonds in 1,6-anhydro-β-D-glucopyranose (levoglucosan) is accurately determined by refinement of time-of-flight neutron single-crystal diffraction data. Molecules of levoglucosan are held together by a hydrogen-bond array formed by a combination of strong O-H...O and supporting weaker C-H...O bonds. These are fully and accurately detailed by the neutron diffraction study. The strong hydrogen bonds link molecules in finite chains, with hydroxyl O atoms acting as both donors and acceptors of hydroxyl H atoms. A comparison of molecular and solid-state DFT calculations predicts red shifts of O-H and associated blue shifts of C-H stretching frequencies due to the formation of hydrogen bonds in this system.
Subject headings and genre
- NATURVETENSKAP Data- och informationsvetenskap Bioinformatik hsv//swe
- NATURAL SCIENCES Computer and Information Sciences Bioinformatics hsv//eng
- hydrogen bonds
- X-ray structure determination
- neutron time-of-flight diffraction
- theoretical calculations
Added entries (persons, corporate bodies, meetings, titles ...)
- Sladkovicova, MarianaSlovak Academy of Sciences (author)
- Langer, Vratislav,1949Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)langer (author)
- Wilson, Chick C.University of Glasgow (author)
- Koos, MiroslavSlovak Academy of Sciences (author)
- Slovak Academy of SciencesChalmers tekniska högskola (creator_code:org_t)
Related titles
- In:Acta Crystallographica Section B: Structural ScienceB62:5, s. 912-9180108-76811600-5740
Internet link
Find in a library
- Acta Crystallographica Section B: Structural Science (Search for host publication in LIBRIS)
To the university's database
- 49 of 52
- Previous record
- Next record
- To hitlist
Find more in SwePub
- By the author/editor
- Smrcok, Lubomir
- Sladkovicova, Ma ...
- Langer, Vratisla ...
- Wilson, Chick C.
- Koos, Miroslav
- About the subject
-
- NATURAL SCIENCES
- NATURAL SCIENCES
- and Computer and Inf ...
- and Bioinformatics
- Articles in the publication
- Acta Crystallogr ...
- By the university
- Chalmers University of Technology
Search outside SwePub
- Extend your search to:
- Google Book Search
- Google Scholar
Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.
- Copyright © LIBRIS - National Library Systems
- LIBRIS.kb.se
