IUPAC > Gold Book > alphabetical index > B > bond-dissociation energy (BDE) in theoretical chemistry
icon

IndexesDownload


bond-dissociation energy (BDE)

in theoretical chemistry
For a diatomic molecule, the maximum vibrational energy that a molecule can have prior to its decomposition into the ground electronic states of the constituent atoms (spectroscopic bond-dissociation energy, D e). The D e value is related to the chemical dissociation energy: D 0 = D e − E vib 0, where E vib 0 is zero-point vibrational energy. This definition is usually extended to the dissociation of polyatomic molecules into certain molecular fragments through homolytic or heterolytic bond cleavages.
Source:
PAC, 1999, 71, 1919 (Glossary of terms used in theoretical organic chemistry) on page 1928
Interactive Link Maps
First LevelSecond LevelThird Level
GraphGraphGraph
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. doi:10.1351/goldbook.
Last update: 2014-02-24; version: 2.3.3.
DOI of this term: doi:10.1351/goldbook.BT07006.
Original PDF version: http://www.iupac.org/goldbook/BT07006.pdf. The PDF version is out of date and is provided for reference purposes only. For some entries, the PDF version may be unavailable.
Current PDF version | Version for print | History of this term
picture