Linked Life Data

19172586

Source:http://linkedlifedata.com/resource/pubmed/id/19172586

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
5
pubmed:dateCreated
2009-4-14
pubmed:abstractText
This work reports significantly improved spectral resolution of (13)C CP MAS NMR spectra of chlorinated, brominated and iodinated solid organic compounds when such spectra are recorded at ultrahigh magnetic field strengths. The cause of this is the residual dipolar coupling between carbon atoms and quadrupolar halogen nuclides (chlorine-35/37, bromine-79/81 or iodine-127), an effect inversely proportional to the magnetic field strength which declines in importance markedly at 21.1 T as compared to lower fields. In favorable cases, the fine structure observed can be used for spectral assignment, e.g. for Cl-substituted aromatics where the substituted carbon as well as the ortho-carbons show distinct doublets. The experimental results presented are supported by theoretical modeling and calculations. The improved spectral resolution in the studied systems and similar halogenated materials will be of particular interest and importance for polymorph identification, drug discovery and quality control in the pharmaceutical industry.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
May
pubmed:issn
1097-458X
pubmed:author
pubmed:copyrightInfo
Copyright (c) 2009 John Wiley & Sons, Ltd.
pubmed:issnType
Electronic
pubmed:volume
47
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
398-406
pubmed:meshHeading
pubmed:year
2009
pubmed:articleTitle
(13)C CP MAS NMR of halogenated (Cl, Br, I) pharmaceuticals at ultrahigh magnetic fields.
pubmed:affiliation
Steacie Institute for Molecular Sciences, National Research Council Canada, Ottawa, Canada K1A 0R6.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't