Deuterium Isotope Effects on 13C NMR
Chemical Shifts Reflect the Smaller
Steric Size of CD3 Compared to CH3
Groups§

Ernst, Ludger

Deuterium Isotope Effects on ¹³C NMR Chemical Shifts Reflect the Smaller Steric Size of CD₃ Compared to CH₃ Groups^§

Posted on 2000-11-15 - 00:00

A CD₃ group close in space to (but many bonds distant from) a carbon atom A causes a substituent effect on the chemical shift of C_A that is algebraically smaller than the effect of a CH₃ group, in agreement with the notion of shorter C−D relative to C−H bonds. Hence, the deuterium isotope effect of CD₃ upon δ(C_A) is shielding when the substituent effect is deshielding, and vice versa.

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Ibrom, Kerstin; Kohn (, Gunther; Boeckmann, Kai-Uwe; Kraft, Roswitha; Holba-Schulz, Petra; Ernst, Ludger (2016). Deuterium Isotope Effects on ¹³C NMR Chemical Shifts Reflect the Smaller Steric Size of CD₃ Compared to CH₃ Groups^§. ACS Publications. Collection. https://doi.org/10.1021/ol006780y

https://doi.org/10.1021/ol006780y

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