Issue 10, 1976

Proton transfer from NH4+ to NH3; floating spherical gaussian orbital calculations

Abstract

Calculations have been made, using Frost's floating spherical Gaussian orbital method, of the hydrogen bond formed between NH4+ and NH3 and of the proton transfer within this hydrogen-bonded system; a contraction in the NN separation in the transition state is obtained, in agreement with other calculations.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1976, 364-365

Proton transfer from NH4+ to NH3; floating spherical gaussian orbital calculations

L. P. Tan and J. W. Linnett, J. Chem. Soc., Chem. Commun., 1976, 364 DOI: 10.1039/C39760000364

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