Morse potential

The empirical function relating the potential energy of a molecule to the inter-atomic distance r accounting for the anharmonicity (See: harmonic approximation) of bond stretching:

$E r = D e ( 1 − e − a ( r − r e ) ) 2$

where $D e$ is the bond-dissociation energy, $r e$ is the equilibrium bond length, and $a$ is a parameter characteristic of a given molecule.

Source:

PAC, 1999, 71, 1919 (Glossary of terms used in theoretical organic chemistry) on page 1953

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Cite as:
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. https://doi.org/10.1351/goldbook.

Last update: 2014-02-24; version: 2.3.3.

DOI of this term: https://doi.org/10.1351/goldbook.MT07073.

Original PDF version: http://www.iupac.org/goldbook/MT07073.pdf. The PDF version is out of date and is provided for reference purposes only. For some entries, the PDF version may be unavailable.

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