Residual Dipolar Coupling Enhanced NMR Spectroscopy and Chiroptics: A Powerful Combination for the Complete Elucidation of Symmetrical Small Molecules

Absolute configuration assignment: Residual dipolar coupling (RDC)‐enhanced NMR spectroscopy provides detailed configurational and conformational information on a symmetric homodimeric chiral organic compound. This allows unequivocal assignment of absolute configuration by using electronic circular...

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Published inChemistry : a European journal Vol. 17; no. 43; pp. 11983 - 11986
Main Authors Pérez-Balado, Carlos, Sun, Han, Griesinger, Christian, de Lera, Ángel R., Navarro-Vázquez, Armando
Format Journal Article
LanguageEnglish
Published Weinheim WILEY-VCH Verlag 17.10.2011
WILEY‐VCH Verlag
Wiley
Wiley Subscription Services, Inc
Subjects
ab initio calculations
Alkaloids - chemistry
Chemistry
Chemistry, Multidisciplinary
Circular Dichroism
configuration determination
density functional calculations
homodimers
Magnetic Resonance Spectroscopy - methods
Molecular Conformation
Molecular Structure
NMR spectroscopy
Physical Sciences
Quantum Theory
Science & Technology
Stereoisomerism
density functional calculations
homodimers
ab initio calculations
DIMERIC MOLECULES
RDCS
NATURAL-PRODUCTS
CONFIGURATION
configuration determination
CONFORMATIONAL-ANALYSIS
NMR spectroscopy
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Summary:Absolute configuration assignment: Residual dipolar coupling (RDC)‐enhanced NMR spectroscopy provides detailed configurational and conformational information on a symmetric homodimeric chiral organic compound. This allows unequivocal assignment of absolute configuration by using electronic circular dichroism and time‐dependent (TD)‐DFT computations.
Bibliography:Xunta de Galicia
Ministerio de Ciencia e Innovación, MICINN-Spain - No. SAF2010-17935
FEDER - No. CTQ2007-65310
ark:/67375/WNG-HZDN7WJV-L
Max Planck Society
Deutsche Forschungsgemeinschaft - No. GRK 782; No. FOR 934
istex:834CEAC1EE310D23D21B75C48ED9D901DA9586C5
ArticleID:CHEM201101385
European Union - No. EPITRON
Ramón y Cajal
ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:0947-6539
1521-3765
DOI:10.1002/chem.201101385