Charge distributions and chemical effects. 13. Ab initio study of the charge density-carbon-13 nuclear magnetic resonance shift correlation for ethylenic carbon atoms

1978 ◽  
Vol 100 (11) ◽  
pp. 3312-3315 ◽  
Author(s):  
Herve Henry ◽  
Sandor Fliszar
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Charge Density ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Charge Distributions ◽  
Resonance Shift ◽  
Chemical Effects ◽  
Ethylenic Carbon ◽  
Nuclear Magnetic Resonance Shift

Charge distributions and chemical effects. XXXVIII. Correlations between nuclear magnetic resonance shifts and electronic charges of nitrogen atoms

1985 ◽  
Vol 63 (11) ◽  
pp. 3226-3232 ◽  
Author(s):  
M. Comeau ◽  
M.-T. Béraldin ◽  
E. C. Vauthier ◽  
S. Fliszár
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Carbonyl Oxygen ◽  
Total Charge ◽  
Resonance Shift ◽  
Chemical Effects ◽  
Ether Oxygen ◽  
Ethylenic Carbon ◽  
Nuclear Magnetic ◽  
Oxygen Atoms

Correlations between nuclear magnetic resonance shifts and atomic charges of nitrogen in selected alkylamines, nitroalkanes, isonitriles, and azines consistently follow the general trends observed for carbon and oxygen nuclei. In azines, any increase in total electronic population on nitrogen, resulting from a gain in π charge prevailing over a concurrent loss of σ electrons, is accompanied by an upfield resonance shift—as found for aromatic and ethylenic carbon and carbonyl oxygen atoms. On the other hand, any gain in total charge dictated by that of σ populations translates into a downfield 15N shift, which is the trend exhibited by alkylamines, nitroalkanes, and isonitriles—a situation encountered earlier with sp3-hybridized carbon, carbonyl carbon, and dialkyl ether oxygen atoms.

Nuclear magnetic resonance shift reagents. Question of the orientation of the magnetic axis in lanthanide-substrate complexes

1973 ◽  
Vol 95 (5) ◽  
pp. 1659-1661 ◽  
Author(s):  
Geoffrey E. Hawkes ◽  
Dieter. Leibfritz ◽  
Donald W. Roberts ◽  
John D. Roberts
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Magnetic Axis ◽  
Resonance Shift ◽  
Shift Reagents ◽  
Nuclear Magnetic Resonance Shift ◽  
Nuclear Magnetic
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