bond-dissociation energy (BDE)

in theoretical chemistry
abbreviation: BDE
https://doi.org/10.1351/goldbook.BT07006
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, De). The De value is related to the chemical dissociation energy: D0=DeEvib(0), where Evib(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 [Terms] [Paper]