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Issue 2, 2015
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Comment on “The role of electrostatic induction in secondary isotope effects on acidity” by E. A. Halevi, New J. Chem., 2014, 38, 3840

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Abstract

We reaffirm our conclusion that secondary deuterium isotope effects on acidity are due to n–σ* delocalization that decreases vibrational frequencies and zero-point energies. We reject an electrostatic or inductive explanation that arises from the anharmonicity of the C–H bond. We address calculated values of atomic charges, dipole moments, and dipole-moment derivatives dμ/dr, and we show the isotope effect to be a stereoelectronic phenomenon arising from harmonic vibrations.

Graphical abstract: Comment on “The role of electrostatic induction in secondary isotope effects on acidity” by E. A. Halevi, New J. Chem., 2014, 38, 3840

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Article information


Submitted
25 Oct 2014
Accepted
07 Jan 2015
First published
23 Jan 2015

New J. Chem., 2015,39, 1517-1521
Article type
Comment
Author version available

Comment on “The role of electrostatic induction in secondary isotope effects on acidity” by E. A. Halevi, New J. Chem., 2014, 38, 3840

C. L. Perrin, New J. Chem., 2015, 39, 1517
DOI: 10.1039/C4NJ01887G

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