Proton Chemical Shift Tensors and Hydrogen Bond Geometry:  A1H−2H Dipolar NMR Study of the Water Molecule in Crystalline Hydrates

1998 ◽  
Vol 120 (50) ◽  
pp. 13187-13193 ◽  
Author(s):  
Gang Wu ◽  
Christopher J. Freure ◽  
Elodie Verdurand
Keyword(s):  
Hydrogen Bond ◽  
Chemical Shift ◽  
Water Molecule ◽  
Proton Chemical Shift ◽  
Chemical Shift Tensors ◽  
Nmr Study ◽  
Crystalline Hydrates

Phosphorus-31 chemical shift tensors of phosphinidene ligands in ruthenium carbonyl cluster compounds: A 31P single-crystal and CP/MAS-NMR study

1995 ◽  
Vol 117 (26) ◽  
pp. 6961-6969 ◽  
Author(s):  
Klaus Eichele ◽  
Roderick E. Wasylishen ◽  
John F. Corrigan ◽  
Nicholas J. Taylor ◽  
Arthur J. Carty
Keyword(s):  
Chemical Shift ◽  
Single Crystal ◽  
Mas Nmr ◽  
Cluster Compounds ◽  
Carbonyl Cluster ◽  
Chemical Shift Tensors ◽  
Nmr Study ◽  
Ruthenium Carbonyl ◽  
Cp Mas Nmr

Proton chemical shift tensors in hydrogen‐bonded dimers of RCOOH and ROH

1983 ◽  
Vol 79 (10) ◽  
pp. 4958-4966 ◽  
Author(s):  
Celeste McMichael Rohlfing ◽  
Leland C. Allen ◽  
Robert Ditchfield
Keyword(s):  
Chemical Shift ◽  
Proton Chemical Shift ◽  
Chemical Shift Tensors ◽  
Hydrogen Bonded

scholarly journals A phosphorus-31 NMR study of solid carbonylhydridotris(triphenylphosphine)rhodium(I). Unusual MAS sideband intensities in second-order NMR spin systems

1992 ◽  
Vol 70 (3) ◽  
pp. 863-869 ◽  
Author(s):  
Gang Wu ◽  
Roderick E. Wasylishen ◽  
Ronald D. Curtis
Keyword(s):  
Chemical Shift ◽  
Spin System ◽  
Principal Components ◽  
Nmr Spectra ◽  
Magic Angle Spinning ◽  
Chemical Shift Tensor ◽  
Magic Angle ◽  
Nmr Spectrum ◽  
Chemical Shift Tensors ◽  
Nmr Study

The CP/MAS 31P NMR spectrum of carbonylhydridotris(triphenylphosphine)rhodium(I), RhH(CO)(PPh3)3 (1), can be described as a tightly coupled ABMX spin system (X = 103Rh). In contrast to the solution 31P NMR spectrum, the three equatorial phosphorus nuclei are nonequivalent in the solid state and this structural feature allows us to measure the two-bond spin–spin couplings, 2J(31P,31P). A new method is proposed for extracting the principal components of the chemical shift tensor from slow MAS NMR spectra in a tightly J-coupled two-spin system. For compound 1, the principal components of the 31P chemical shift tensors calculated using this method are in good agreement with those obtained from NMR spectra of a static sample. The principal components of the 31P chemical shift tensors determined for 1 are compared with those reported previously for Wilkinson's catalyst, RhCl(PPh3)3. The δ22 component of the 31P chemical shift tensors in 1 shows the largest variation with structure. This is ascribed to differences in the orientation of the P—Cipso bond about the equatorial plane of the trigonal bipyramidal structure. Keywords: rhodium–phosphine compounds, AB spin system, 31P chemical shift tensor, magic-angle spinning, molecular structure.

15N Chemical-Shift Tensors and Hydrogen-Bond Geometries of 3,5-Substituted Pyrazoles and Their Orientation in the Molecular Frame

1996 ◽  
Vol 120 (1) ◽  
pp. 46-55 ◽  
Author(s):  
C.G. Hoelger ◽  
F. Aguilar-Parrilla ◽  
J. Elguero ◽  
O. Weintraub ◽  
S. Vega ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Chemical Shift ◽  
Chemical Shift Tensors ◽  
Molecular Frame ◽  
Substituted Pyrazoles
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