Heitler–London theory of the chemical bond
E347196
The Heitler–London theory of the chemical bond is an early quantum mechanical model that explains covalent bonding by treating it as the result of electron exchange and spin pairing between atoms.
All labels observed (4)
Statements (48)
| Predicate | Object |
|---|---|
| instanceOf |
chemical bonding theory
ⓘ
quantum mechanical theory ⓘ valence bond theory ⓘ |
| appliesMethod |
linear combination of atomic orbitals
ⓘ
symmetrization and antisymmetrization of product states ⓘ |
| appliesTo | covalent bond ⓘ |
| approachType |
ab initio method
ⓘ
wavefunction‑based method ⓘ |
| assumes | localized electrons on atoms ⓘ |
| basedOn |
Schrödinger equation
ⓘ
quantum mechanics ⓘ |
| characteristicFeature |
explicit treatment of electron exchange
ⓘ
non‑perturbative treatment of H₂ molecule ⓘ use of spin‑correlated wavefunctions ⓘ |
| comparedTo | molecular orbital theory ⓘ |
| coreIdea |
antibonding arises from antisymmetric spatial wavefunction and symmetric spin state
ⓘ
bonding arises from symmetric spatial wavefunction and antisymmetric spin state ⓘ |
| describes |
electron exchange between atoms
ⓘ
spin pairing of electrons ⓘ |
| developedBy |
Fritz London
ⓘ
Walter Heitler ⓘ |
| explains |
bond formation via spin‑paired electron pairs
ⓘ
covalent bonding as electron exchange ⓘ |
| field |
chemical physics
ⓘ
quantum chemistry ⓘ theoretical chemistry ⓘ |
| firstAppliedTo |
H₂ ground state
ⓘ
hydrogen molecule ⓘ |
| historicalPeriod | early quantum mechanics ⓘ |
| influenced | development of quantum chemistry ⓘ |
| isFoundationFor | modern valence bond theory ⓘ |
| languageOfOriginalPublication | German ⓘ |
| limitation |
computationally difficult for many‑electron systems
ⓘ
less convenient than molecular orbital theory for delocalized systems ⓘ |
| namedAfter |
Fritz London
ⓘ
Walter Heitler ⓘ |
| predicts |
destabilization of triplet spin state in H₂
ⓘ
stabilization of singlet spin state in H₂ ⓘ |
| publication |
Heitler–London theory of the chemical bond
self-linksurface differs
ⓘ
surface form:
“Wechselwirkung neutraler Atome und homöopolare Bindung nach der Quantenmechanik”
|
| relatedConcept |
Heitler–London theory of the chemical bond
self-linksurface differs
ⓘ
surface form:
Heitler–London wavefunction
exchange energy ⓘ |
| usesConcept |
Pauli exclusion principle
ⓘ
antisymmetric total wavefunction ⓘ electron spin ⓘ exchange interaction ⓘ superposition of atomic wavefunctions ⓘ valence electrons ⓘ |
| yearProposed | 1927 ⓘ |
Referenced by (5)
Full triples — surface form annotated when it differs from this entity's canonical label.
this entity surface form:
electron-pair theory of chemical bonding
Heitler–London theory of the chemical bond
→
publication
→
Heitler–London theory of the chemical bond
self-linksurface differs
ⓘ
this entity surface form:
“Wechselwirkung neutraler Atome und homöopolare Bindung nach der Quantenmechanik”
Heitler–London theory of the chemical bond
→
relatedConcept
→
Heitler–London theory of the chemical bond
self-linksurface differs
ⓘ
this entity surface form:
Heitler–London wavefunction