Computational Study of 13C NMR Chemical Shift Anisotropy Patterns in C20H10 and [C20H10]4–. Insights into Their Variation upon Planarization and Formation of Concentric Aromatic Species in the Smaller Isolated-Pentagon Structural Motif

2017 ◽  
Vol 121 (13) ◽  
pp. 2698-2703 ◽  
Author(s):  
Alvaro Muñoz-Castro ◽  
Wilson Caimanque-Aguilar ◽  
Cesar Morales-Verdejo
Keyword(s):  
Chemical Shift ◽  
13C Nmr ◽  
Computational Study ◽  
Chemical Shift Anisotropy ◽  
Structural Motif ◽  
Nmr Chemical Shift ◽  
Aromatic Species

13C NMR chemical shift anisotropy for benzene adsorbed on charcoal and silica gel

1973 ◽  
Vol 59 (10) ◽  
pp. 5681-5687 ◽  
Author(s):  
S. Kaplan ◽  
H. A. Resing ◽  
J. S. Waugh
Keyword(s):  
Chemical Shift ◽  
Silica Gel ◽  
13C Nmr ◽  
Chemical Shift Anisotropy ◽  
Nmr Chemical Shift

C50Cl10, a planar aromatic fullerene. Computational study of 13C-NMR chemical shift anisotropy patterns and aromatic properties

2018 ◽  
Vol 20 (41) ◽  
pp. 26325-26332 ◽  
Author(s):  
Alan Miralrio ◽  
Luis E. Sansores ◽  
Bruce King ◽  
Alvaro Muñoz-Castro
Keyword(s):  
Chemical Shift ◽  
Dft Calculations ◽  
13C Nmr ◽  
Computational Study ◽  
Chemical Shift Anisotropy ◽  
Interesting Case ◽  
Face To Face ◽  
Aromatic Character ◽  
The Face

The structural characterization of D5h-C50Cl10 as an IPR-violating fullerene provides an interesting case of an oblate structure displaying a planar-aromatic character provided by the face-to-face disposition of two IPR structural motifs, as unraveled by DFT calculations.

scholarly journals Other compounds isolated from Simira glaziovii and the ¹H and 13C NMR chemical shift assignments of new 1-epi-castanopsol

Química Nova ◽  
2012 ◽  
Vol 35 (11) ◽  
pp. 2202-2204 ◽  
Author(s):  
Marcelo F. de Araújo ◽  
Raimundo Braz-Filho ◽  
Mário G. de Carvalho ◽  
Ivo J. Curcino Vieira
Keyword(s):  
Chemical Shift ◽  
13C Nmr ◽  
Chemical Shift Assignments ◽  
Nmr Chemical Shift ◽  
Nmr Chemical Shift Assignments

scholarly journals Computer Simulation of 13C-NMR Chemical Shift of Cellulose Solid.

1996 ◽  
Vol 49 (12) ◽  
pp. T333-T338
Author(s):  
Ikuya Miyamoto ◽  
Masatoshi Saito ◽  
Takeshi Aoyagi ◽  
Hideo Toyoshima
Keyword(s):  
Computer Simulation ◽  
Chemical Shift ◽  
13C Nmr ◽  
Nmr Chemical Shift

13C NMR Chemical Shift of β-Alkoxyvinylketones: II. Empirical Substituent Effects in β-Aryl-β-Methoxyvinyltrihalomethylketones

1995 ◽  
Vol 28 (3) ◽  
pp. 459-471
Author(s):  
Marcos A. P. Martins ◽  
Geonir M. Siqueira ◽  
Alex F. C. Flores ◽  
Nilo Zanatta
Keyword(s):  
Chemical Shift ◽  
13C Nmr ◽  
Substituent Effects ◽  
Nmr Chemical Shift

Chlorosilanes and 3,5-Dimethylpyrazole: Multinuclear Complexes, Acetonitrile Insertion and29Si NMR Chemical-Shift Anisotropy Studies

2013 ◽  
Vol 2013 (16) ◽  
pp. 2954-2962 ◽  
Author(s):  
Florian Bitto ◽  
Konstantin Kraushaar ◽  
Uwe Böhme ◽  
Erica Brendler ◽  
Jörg Wagler ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Chemical Shift Anisotropy ◽  
Nmr Chemical Shift ◽  
Multinuclear Complexes
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