Importance of Structural Tightening, as Opposed to Partially Bound States, in the Determination of Chemical Shift Changes at Noncovalently Bonded Interfaces

2004 ◽  
Vol 126 (43) ◽  
pp. 14267-14272 ◽  
Author(s):  
Dudley H. Williams ◽  
Nichola L. Davies ◽  
Jari J. Koivisto
Keyword(s):  
Chemical Shift ◽  
Bound States

Determination of the lattice relaxation at the Yb(111) surface using chemical-shift photoelectron diffraction

2000 ◽  
Vol 62 (3) ◽  
pp. 1635-1638 ◽  
Author(s):  
M. E. Dávila ◽  
S. L. Molodtsov ◽  
M. C. Asensio ◽  
C. Laubschat
Keyword(s):  
Chemical Shift ◽  
Lattice Relaxation ◽  
Photoelectron Diffraction

Determination of chemical shifts in 6-condensed syringylic lignin model compounds

Holzforschung ◽  
2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Lucas Lagerquist ◽  
Jani Rahkila ◽  
Patrik Eklund
Keyword(s):  
Chemical Shift ◽  
Methoxy Group ◽  
Chemical Shifts ◽  
Model Compounds ◽  
Correlation Peak ◽  
Lignin Model Compounds ◽  
Benzylic Alcohols ◽  
Lignin Model ◽  
C Nmr

Abstract A small library of 6-substituted syringyl model compounds with aliphatic, carboxylic, phenylic, benzylic alcohols and brominated substituents were prepared. The influence of the substituents on the chemical shifts of the compounds was analyzed. All of model compounds showed a characteristic increase in the 13C NMR chemical shift of the methoxy group vicinal to the substitution. This 13C NMR peak and its corresponding correlation peak in HSQC could potentially be used to identify 6-condensation in syringylic lignin samples.

scholarly journals Determination of 15N Chemical Shift Anisotropy from a Membrane-Bound Protein by NMR Spectroscopy

2012 ◽  
Vol 116 (24) ◽  
pp. 7181-7189 ◽  
Author(s):  
Manoj Kumar Pandey ◽  
Subramanian Vivekanandan ◽  
Shivani Ahuja ◽  
Kumar Pichumani ◽  
Sang-Choul Im ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Chemical Shift ◽  
Chemical Shift Anisotropy ◽  
Membrane Bound

scholarly journals Efficient polynomial analysis of magic-angle spinning sidebands and application to order parameter determination in anisotropic samples

2021 ◽  
Vol 2 (2) ◽  
pp. 589-606
Author(s):  
Günter Hempel ◽  
Paul Sotta ◽  
Didier R. Long ◽  
Kay Saalwächter
Keyword(s):  
Chemical Shift ◽  
Magic Angle Spinning ◽  
Parameter Determination ◽  
Magic Angle ◽  
Chemical Shift Tensors ◽  
Line Shapes ◽  
Fitting Procedure ◽  
The Common ◽  
Angle Spinning

Abstract. Chemical shift tensors in 13C solid-state NMR provide valuable localized information on the chemical bonding environment in organic matter, and deviations from isotropic static-limit powder line shapes sensitively encode dynamic-averaging or orientation effects. Studies in 13C natural abundance require magic-angle spinning (MAS), where the analysis must thus focus on spinning sidebands. We propose an alternative fitting procedure for spinning sidebands based upon a polynomial expansion that is more efficient than the common numerical solution of the powder average. The approach plays out its advantages in the determination of CST (chemical-shift tensor) principal values from spinning-sideband intensities and order parameters in non-isotropic samples, which is here illustrated with the example of stretched glassy polycarbonate.

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