Preferred Label : bond-dissociation energy;
Detailed label : bond-dissociation energy (BDE) in theoretical chemistry;
IUPAC acronym : BDE;
IUPAC definition : 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 De - Evib(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.;
Origin ID : BT07006;
Automatic exact mappings (from CISMeF team)
- See also
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 De - Evib(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.
