Characterization of the methylene 13C chemical shift tensor in the normal alkane n‐C20H42

1976 ◽  
Vol 64 (2) ◽  
pp. 830-834 ◽  
Author(s):  
D. L. VanderHart
Keyword(s):  
Chemical Shift ◽  
Chemical Shift Tensor ◽  
Normal Alkane ◽  
13C Chemical Shift

Determination of the orientation of the 13C chemical shift tensor of undoped trans-polyacetylene

1984 ◽  
Vol 112 (1) ◽  
pp. 99-102 ◽  
Author(s):  
A. Manenschijn ◽  
M.J. Duijvestijn ◽  
J. Smidt ◽  
R.A. Wind ◽  
C.S. Yannoni ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Chemical Shift Tensor ◽  
13C Chemical Shift

scholarly journals Isolation and characterization of a covalent CeIV-Aryl complex with an anomalous 13C chemical shift

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Grace B. Panetti ◽  
Dumitru-Claudiu Sergentu ◽  
Michael R. Gau ◽  
Patrick J. Carroll ◽  
Jochen Autschbach ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Spin Orbit Coupling ◽  
H Nmr ◽  
Isolation And Characterization ◽  
Formidable Challenge ◽  
Bona Fide ◽  
13C Chemical Shift ◽  
Computational Analyses ◽  
Metal Ligand

AbstractThe synthesis of bona fide organometallic CeIV complexes is a formidable challenge given the typically oxidizing properties of the CeIV cation and reducing tendencies of carbanions. Herein, we report a pair of compounds comprising a CeIV − Caryl bond [Li(THF)4][CeIV(κ2-ortho-oxa)(MBP)2] (3-THF) and [Li(DME)3][CeIV(κ2-ortho-oxa)(MBP)2] (3-DME), ortho-oxa = dihydro-dimethyl-2-[4-(trifluoromethyl)phenyl]-oxazolide, MBP2– = 2,2′-methylenebis(6-tert-butyl-4-methylphenolate), which exhibit CeIV − Caryl bond lengths of 2.571(7) – 2.5806(19) Å and strongly-deshielded, CeIV − Cipso13C{1H} NMR resonances at 255.6 ppm. Computational analyses reveal the Ce contribution to the CeIV − Caryl bond of 3-THF is ~12%, indicating appreciable metal-ligand covalency. Computations also reproduce the characteristic 13C{1H} resonance, and show a strong influence from spin-orbit coupling (SOC) effects on the chemical shift. The results demonstrate that SOC-driven deshielding is present for CeIV − Cipso13C{1H} resonances and not just for diamagnetic actinide compounds.

Measurement of 13C chemical shift tensor principal values with a magic-angle turning experiment

1994 ◽  
Vol 3 (4) ◽  
pp. 181-197 ◽  
Author(s):  
Jian Zhi Hu ◽  
Anita M. Orendt ◽  
D.W. Alderman ◽  
Ronald J. Pugmire ◽  
Chaohui Ye ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Chemical Shift Tensor ◽  
Magic Angle ◽  
13C Chemical Shift
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