Inverse halogen dependence in anion 13C NMR

2020 ◽  
Author(s):  
Renan Vidal Viesser ◽  
Claudio Francisco Tormena
Keyword(s):  
Chemical Shift ◽  
13C Nmr ◽  
Carbon Nucleus ◽  
Nmr Chemical Shift ◽  
Systematic Effects ◽  
C Nmr

Halogens cause pronounced and systematic effects on the 13C NMR chemical shift (δ13C) of an adjacent carbon nucleus, usually leading to a decrease in the values across the halogen series....

13C NMR Chemical Shift Assignments of Alkyl Chains of Histamine Analogous ω-Aminoalkylheterocycles and Bicyclic Derivatives

1994 ◽  
Vol 59 (5) ◽  
pp. 1100-1104 ◽  
Author(s):  
Martin Pohl ◽  
Wolf-Dieter Bloedorn ◽  
Clemens Mügge ◽  
Jürgen Liebscher
Keyword(s):  
Chemical Shift ◽  
13C Nmr ◽  
Chemical Shift Assignments ◽  
Nmr Chemical Shift ◽  
Alkyl Chains ◽  
Nmr Chemical Shift Assignments ◽  
C Nmr

ω-Aminoalkylheterocycles and aromatics as well as bicyclic azolodiazepine derivatives were investigated by means of CH-COSY and INADEQUATE experiments. The 13C NMR shifts of all carbon atoms of the aminopropyl and aminobutyl moieties could be assigned. The benzylic position of the ω-aminopropyl moieties appears most upfield rather than more downfield like erroneously reported in the literature.

The halogen effect on the 13C NMR chemical shift in substituted benzenes

2018 ◽  
Vol 20 (16) ◽  
pp. 11247-11259 ◽  
Author(s):  
Renan V. Viesser ◽  
Lucas C. Ducati ◽  
Cláudio F. Tormena ◽  
Jochen Autschbach
Keyword(s):  
Chemical Shift ◽  
13C Nmr ◽  
Chemical Shifts ◽  
Nmr Chemical Shift ◽  
Substituted Benzenes ◽  
Nmr Chemical Shifts ◽  
Halogen Effect ◽  
C Nmr ◽  
Group Effects

X (F, Cl, Br, I) and R (NH2, NO2) group effects on 13C NMR chemical shifts are explained by π and σ orbitals, respectively.

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

13C NMR CHEMICAL SHIFT CALCULATION FOR THE 1, 1'-DISUBSTITUTED FERROCENE COMPOUNDS

1986 ◽  
Vol 2 (01) ◽  
pp. 73-76
Author(s):  
Li Cun ◽  
◽  
Wu Weixiong ◽  
Pen Xin ◽  
Chao Qirong ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Nmr Chemical Shift ◽  
Ferrocene Compounds ◽  
Shift Calculation ◽  
C Nmr
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