Probing the ionisation state of functional groups by chemical shift tensor fingerprints

2006 ◽  
Vol 49 (2) ◽  
pp. 129-149 ◽  
Author(s):  
Carole Gardiennet-Doucet ◽  
Bernard Henry ◽  
Piotr Tekely
Keyword(s):  
Chemical Shift ◽  
Functional Groups ◽  
Chemical Shift Tensor

Intermolecular Interactions of Xe Atoms Confined in One-dimensional Nanochannels of Tris(o-phenylenedioxy)cyclotriphosphazene as Studied by High-pressure 129Xe NMR

2003 ◽  
Vol 58 (12) ◽  
pp. 727-734 ◽  
Author(s):  
Hirokazu Kobayashi ◽  
Takahiro Ueda ◽  
Keisuke Miyakubo ◽  
Taro Eguchi
Keyword(s):  
High Pressure ◽  
Nmr Spectroscopy ◽  
Chemical Shift ◽  
Pressure Dependence ◽  
Average Distance ◽  
Chemical Shift Tensor ◽  
Axially Symmetric ◽  
One Dimensional ◽  
129Xe Nmr ◽  
The One

The pressure dependence of the 129Xe chemical shift tensor confined in the Tris(o-phenylenedioxy) cyclotriphosphazene (TPP) nanochannel was investigated by high-pressure 129Xe NMR spectroscopy. The observed 129Xe spectrum in the one-dimensional TPP nanochannel (0.45 nm in diameter) exhibits a powder pattern broadened by an axially symmetric chemical shift tensor. As the pressure increases from 0.02 to 7.0 MPa, a deshielding of 90 ppm is observed for the perpendicularcomponent of the chemical shift tensor δ⊥, whereas a deshielding of about 30 ppm is observed for the parallel one, δ‖. This suggests that the components of the chemical shift tensor, δ‖ and δ⊥, are mainly dominated by the Xe-wall and Xe-Xe interaction, respectively. Furthermore, the effect of helium, which is present along with xenon gas, on the 129Xe chemical shift is examined in detail. The average distance between the Xe atoms in the nanochannel is estimated to be 0.54 nm. This was found by using δ⊥ at the saturated pressure of xenon, and comparing the increment of the chemicalshift value in δ⊥ to that of a β -phenol/Xe compound.

Magic-Angle-Turning Experiments for Measuring Chemical-Shift-Tensor Principal Values in Powdered Solids

1995 ◽  
Vol 113 (2) ◽  
pp. 210-222 ◽  
Author(s):  
J.Z. Hu ◽  
W. Wang ◽  
F. Liu ◽  
M.S. Solum ◽  
D.W. Alderman ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Chemical Shift Tensor ◽  
Magic Angle

Cluster Analysis of13C Chemical Shift Tensor Principal Values in Polycyclic Aromatic Hydrocarbons

2001 ◽  
Vol 105 (31) ◽  
pp. 7468-7472 ◽  
Author(s):  
Julio C. Facelli ◽  
Bret K. Nakagawa ◽  
Anita M. Orendt ◽  
Ronald J. Pugmire
Keyword(s):  
Cluster Analysis ◽  
Polycyclic Aromatic Hydrocarbons ◽  
Chemical Shift ◽  
Aromatic Hydrocarbons ◽  
Chemical Shift Tensor ◽  
Polycyclic Aromatic

Anisotropy of the Fluorine Chemical Shift Tensor in Xenon Tetrafluoride

1963 ◽  
Vol 39 (8) ◽  
pp. 2109-2110 ◽  
Author(s):  
R. Blinc ◽  
I. Zupančič ◽  
S. Maričič ◽  
Z. Veksli
Keyword(s):  
Chemical Shift ◽  
Chemical Shift Tensor

scholarly journals The Chemical Shift of the 29Si Nuclear Magnetic Resonance in a Synthetic Single Crystal of Mg2SiO4

1985 ◽  
Vol 40 (2) ◽  
pp. 126-130 ◽  
Author(s):  
N. Weiden ◽  
H. Rager
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shift ◽  
Single Crystal ◽  
Angular Dependence ◽  
Room Temperature ◽  
Bond Distance ◽  
Chemical Shift Tensor ◽  
The Individual ◽  
Nuclear Magnetic

The angular dependence of the chemical shift of the 29Si nuclear magnetic resonance has been measured in a synthetic single crystal of Mg2SiO4 (space group Pbnm, Z = 4). The measurements were performed at room temperature at a frequency of 39.758 MHz using the FT-NMR technique. The eigenvalues of the shift tensor with respect to 29Si in TMS are δx = - 38.8 ppm, δv = -55.3 ppm and δz = - 95.4 ppm, with the eigenvector y parallel to c and the eigenvector z forming an angle of 7.5° with a. The results show clearly the influence of the individual S i - O bonds on the chemical shift tensor. The chemical shift along the S i -O bond depends in good approximation exponentially on the S i - O bond distance.

1H chemical shift tensor in squaric acid: C4O4H2

1977 ◽  
Vol 22 (9) ◽  
pp. 597-601 ◽  
Author(s):  
D. Suwelack ◽  
J. Becker ◽  
M. Mehring
Keyword(s):  
Chemical Shift ◽  
Squaric Acid ◽  
Chemical Shift Tensor
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