A General Approach for Calculating Proton Chemical Shifts for Methyl, Methylene and Methine Protons When There Are One or More Substituents within Three Carbons

A General Approach for Calculating Proton Chemical Shifts for Methyl, Methylene and Methine Protons When There Are One or More Substituents within Three Carbons

A general method is provided to calculate chemical shifts for protons attached to sp3 carbons (methyl, methylene and methine). the approach is similar to rules developed by J. N. Shoolery in 1959. His rules are extended to allow calculations of proton chemical shifts in molecules that have multiple...

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Veröffentlicht in:Journal of chemical education 1997-12, Vol.74 (12), p.1483
Hauptverfasser: Beauchamp, Philip S, Marquez, Rodolfo
Format: Artikel
Sprache:eng
Schlagworte:
Chemical products
Chemical reactions
Chemistry
Methylene
Organic chemistry
Protons
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Zusammenfassung:A general method is provided to calculate chemical shifts for protons attached to sp3 carbons (methyl, methylene and methine). the approach is similar to rules developed by J. N. Shoolery in 1959. His rules are extended to allow calculations of proton chemical shifts in molecules that have multiple substituents within three carbons of the calculated proton chemical shifts.
ISSN:0021-9584
1938-1328
DOI:10.1021/ed074p1483