Characterization of Tricoordinate Boron Chemical Shift Tensors:  Definitive High-Field Solid-State NMR Evidence for Anisotropic Boron Shielding

2001 ◽  
Vol 105 (14) ◽  
pp. 3633-3640 ◽  
Author(s):  
David L. Bryce ◽  
Roderick E. Wasylishen ◽  
Myrlene Gee
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Solid State Nmr ◽  
High Field ◽  
Chemical Shift Tensors

Probing solid iminobis(diorganophosphine chalcogenide) systems with multinuclear magnetic resonance

2009 ◽  
Vol 87 (1) ◽  
pp. 348-360 ◽  
Author(s):  
Bryan A Demko ◽  
Roderick E Wasylishen
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Solid State Nmr ◽  
Magnetic Shielding ◽  
Chemical Shift Tensors ◽  
X Ray ◽  
X Ray Crystallography ◽  
Shielding Tensor ◽  
Nuclear Magnetic Shielding Tensors ◽  
Nuclear Magnetic

A 31P and 77Se solid-state NMR investigation of the iminobis(diorganophosphine chalcogenide) HN(R2PE)2 (R = Ph,iPr; E = O, S, Se) systems is presented. The NMR results are discussed in terms of the known HN(R2PE)2 structures available from X-ray crystallography. The phosphorus chemical shift tensors are found to be sensitive to the nature of the alkyl and chalcogen substituents. The nature of the R group also influences the selenium chemical shift tensors of HN(R2PSe)2 (R = Ph, iPr), which are shown to be sensitive to hydrogen bonding in the dimer structure of HN(Ph2PSe)2 and to the presence of disorder in the case of HN(iPr2PSe)2. Scalar relativistic ZORA DFT nuclear magnetic shielding tensor calculations were performed yielding the orientations of the corresponding chemical shift tensors. A theoretical investigation into the effect of the E-P···P-E “torsion” angle on the phosphorus and selenium chemical shift tensors of a truncated HN(Me2PSe)2 system indicates that the electronic effect of the alkyl group on the respective nuclear magnetic shielding tensors are more important than the steric effect of the E-P···P-E torsion angle.Key words: iminobis(diorganophosphine chalcogenide), solid-state NMR, 31P NMR, 77Se NMR, ZORA DFT.

Acetylenic Carbon-13 Chemical Shift Tensors for Diphenylacetylene and (η2-Diphenylacetylene)Pt(PPh3)2:  A Solid-State NMR and Theoretical Study

2006 ◽  
Vol 45 (6) ◽  
pp. 2461-2473 ◽  
Author(s):  
Kristopher J. Harris ◽  
Guy M. Bernard ◽  
Chris McDonald ◽  
Robert McDonald ◽  
Michael J. Ferguson ◽  
...  
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Solid State Nmr ◽  
Theoretical Study ◽  
Chemical Shift Tensors

Carbon-13 Chemical Shift Tensors for Acylium Ions:  A Combined Solid State NMR and Ab Initio Molecular Orbital Study

1997 ◽  
Vol 119 (2) ◽  
pp. 396-405 ◽  
Author(s):  
Teng Xu ◽  
Dewey H. Barich ◽  
Paul D. Torres ◽  
John B. Nicholas ◽  
James F. Haw
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Solid State Nmr ◽  
Chemical Shift Tensors ◽  
Molecular Orbital Study ◽  
Orbital Study

Conformational Characterization of Left-Handed Helices in Poly(β-benzyl l-aspartate) by 13C Chemical Shift Anisotropy Using Solid-State NMR

2015 ◽  
Vol 48 (3) ◽  
pp. 629-636
Author(s):  
Takayuki Kamihara ◽  
Takashi Mizuno ◽  
Akira Shoji ◽  
K. Takegoshi
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Solid State Nmr ◽  
Chemical Shift Anisotropy ◽  
Left Handed ◽  
13C Chemical Shift

A 13C Solid-State NMR Investigation of the Alkynyl Carbon Chemical Shift Tensors for 2-Butyne-1,4-diol

2002 ◽  
Vol 21 (1-2) ◽  
pp. 86-104 ◽  
Author(s):  
Guy M Bernard ◽  
Roderick E Wasylishen
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Solid State Nmr ◽  
Chemical Shift Tensors ◽  
Carbon Chemical Shift
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