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An investigation of weak CH...O hydrogen bonds in maltose anomers by a combination of calculation and experimental solid-state NMR spectroscopy.

Abstract:

Two-dimensional (1)H-(13)C MAS-J-HMQC solid-state NMR spectra of the two anomeric forms of maltose at natural abundance are presented. The experimental (1)H chemical shifts of the CH and CH(2) protons are assigned using first-principles chemical shift calculations that employ a plane-wave pseudopotential approach. Further calculations show that the calculated change in the (1)H chemical shift when comparing the full crystal and an isolated molecule is a quantitative measure of intermolecular ...

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Publication status:
Published

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Publisher copy:
10.1021/ja051019a

Authors


Pickard, CJ More by this author
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Journal:
Journal of the American Chemical Society
Volume:
127
Issue:
29
Pages:
10216-10220
Publication date:
2005-07-05
DOI:
EISSN:
1520-5126
ISSN:
0002-7863
URN:
uuid:a725a9a3-91c1-4186-8270-be091efd4e6d
Source identifiers:
178297
Local pid:
pubs:178297

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