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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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Publication details

The article was received on 25 Oct 2014, accepted on 07 Jan 2015 and first published on 23 Jan 2015


Article type: Comment
DOI: 10.1039/C4NJ01887G
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Citation: New J. Chem., 2015,39, 1517-1521

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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

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

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