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Prediction of ortho(β) 13C chemical shifts in conjugated systems

✍ Scribed by D. J. Craik; B. Ternai

Publisher
John Wiley and Sons
Year
1981
Tongue
English
Weight
515 KB
Volume
15
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

An equation has been developed which relates ortho or C‐β ^13^C substituent chemical shifts (SCS) to the ortho proton–proton coupling constant in the unsubstituted member of a conjugated series. This method is an extension of previous equations which have been used to predict ortho ^1^H SCS values, and has its origin in a relationship between bond order and SCS values. The equation was derived from ortho ^13^C data in 2‐naphthalenes and monosubstituted benzenes and its application to other unsaturated series is discussed.

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