Assessment of solvent effects: do weak alignment media affect the structure of the solute?

Alignment media used for measuring residual dipolar couplings, such as solutions of filamentous phages, phospholipid mixtures, polyacrylamide gels and various lyotropic liquid crystalline systems were investigated with respect to solvent effects on molecular structure. Structural parameters of the s...

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Published inMagnetic resonance in chemistry Vol. 45; no. 7; pp. 557 - 563
Main Authors Shahkhatuni, Astghik A., Shahkhatuni, Aleksan G., Panosyan, Henry A., Sahakyan, Aleksandr B., Byeon, In‐Ja L., Gronenborn, Angela M.
Format Journal Article
LanguageEnglish
Published Chichester, UK John Wiley & Sons, Ltd 01.07.2007
Subjects
Acetonitriles - chemistry
Anisotropy
Carbon Isotopes
Gels
Liquid Crystals
Magnetic Resonance Spectroscopy - methods
Molecular Structure
NMR
oriented molecules
Phospholipids
residual dipolar couplings (RDCs)
solvent effects
Solvents - chemistry
weakly aligning media
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Summary:Alignment media used for measuring residual dipolar couplings, such as solutions of filamentous phages, phospholipid mixtures, polyacrylamide gels and various lyotropic liquid crystalline systems were investigated with respect to solvent effects on molecular structure. Structural parameters of the small rigid model compound 13C‐acetonitrile were calculated from dipolar couplings and variations from expectation values were used for assessment of solvent effects. Only minor solvent effects were observed for most of the media employed and the measured structural data are in good agreement with microwave data and theoretical predictions. Copyright © 2007 John Wiley & Sons, Ltd.
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ISSN:0749-1581
1097-458X
DOI:10.1002/mrc.2004