Analysis of the Contributions of Ring Current and Electric Field Effects to the Chemical Shifts of RNA Bases

2013 ◽  
Vol 117 (7) ◽  
pp. 1989-1998 ◽  
Author(s):  
Aleksandr B. Sahakyan ◽  
Michele Vendruscolo
Keyword(s):  
Electric Field ◽  
Ring Current ◽  
Chemical Shifts ◽  
Electric Field Effects ◽  
Field Effects ◽  
Rna Bases

Substituent-induced 1H chemical shifts for 4-substituted (2, 2-dichlorocyclopropyl)benzenes: further evidence for intramolecular electric field effects on 1H chemical shifts

1977 ◽  
Vol 55 (3) ◽  
pp. 530-535 ◽  
Author(s):  
Robert H. Kohler ◽  
William F. Reynolds
Keyword(s):  
Electric Field ◽  
Field Effect ◽  
Ring Current ◽  
Chemical Shifts ◽  
Basic Pattern ◽  
Electric Field Effects ◽  
Field Effects ◽  
The Individual ◽  
Induced Changes ◽  
Proton Chemical Shifts

Correlations of cyclopropyl proton chemical shifts for 4-substituted (2,2-dichlorocyclopropyl)-benzenes with σI and σR0 provide evidence that these chemical shifts reflect direct field effects and weak phenyl–cyclopropyl conjugative interactions. Corrections for variable ring current effects due to substituent-induced changes in conformation improve the individual correlations but do not alter the basic pattern of results. Correlation of the β cyclopropyl 1H chemical shift difference with σI with calculated hydrogen electron densities, and with calculated electric field components provides further strong evidence for a field effect on 1H chemical shifts.

scholarly journals The role of electric field, peripheral chains, and magnetic effects on significant 1H upfield shifts of the encapsulated molecules in chalcogen-bonded capsules

2021 ◽  
Vol 23 (35) ◽  
pp. 19647-19658
Author(s):  
Demeter Tzeli ◽  
Ioannis D. Petsalakis ◽  
Giannoula Theodorakopoulos ◽  
Faiz-Ur Rahman ◽  
Yang Yu ◽  
...  
Keyword(s):  
Magnetic Field ◽  
Electric Field ◽  
Chemical Shifts ◽  
Electric Field Effects ◽  
Magnetic Effects ◽  
Field Effects ◽  
Equal Importance

Significant 1H upfield chemical shifts of the guests in the capsules are consequences of polarizability of chalcogens, electric field effects and peripheral chains. The effects of the electric field and of magnetic field are of equal importance.

Evidence for the existence of an electric field effect from the vinyl proton magnetic resonance spectra of 4-substituted styrenes

1968 ◽  
Vol 46 (24) ◽  
pp. 3813-3820 ◽  
Author(s):  
G. K. Hamer ◽  
W. F. Reynolds
Keyword(s):  
Chemical Shift ◽  
Electric Field ◽  
Field Effect ◽  
Chemical Shifts ◽  
Electric Field Effect ◽  
Vinyl Proton ◽  
Concentration Effects ◽  
Electric Field Effects ◽  
Field Effects ◽  
Proton Chemical Shifts

Vinyl proton chemical shifts of styrene and six 4-substituted styrenes have been determined at infinite dilution in cyclohexane. It is shown that changes in the chemical shift difference of the β protons, Δ(δC − δB) can be accounted for by electric field effects. Reasonable values of the constant in the Buckingham equation of(−3.11 ± 0.50) × 10−12 and (−4.77 ± 0.83) × 10−12 are obtained from two different types of field effect calculations. Residual chemical shift changes for β protons after correction for electric field effects can be explained in terms of mesomeric and possibly inductive mechanisms. α-Proton chemical shift values cannot be satisfactorily rationalized. Small concentration effects are noted, usually resulting in high field shifts with increasing concentration. Previous results are reexamined in order to resolve a conflict in the literature.

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