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Molecular-orbital theory

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Summary

A quantum description using one-electron functions delocalized over a molecule as a basis for its many-electron state.

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Concept sources

Incoming relations (arrows to this concept)

Each relation below ends at this concept.

AromaticityMolecular-orbital theory

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This is an authored directed relation from the source endpoint to the target endpoint.

Authored explanation

Molecular-orbital models represent cyclic delocalization associated with aromaticity, but energetic, magnetic, structural, and reactivity criteria need not agree in marginal cases.

How to interpret this relation type

The target is a model, idealization, restricted ansatz, approximation scheme, phenomenological fit, or historical representation used for the source system or theory. It need not have a universal small error parameter and is not thereby a controlled limit or effective theory. The edge label and detail must identify the precise status.

Relation sources

Metal–ligand bondingMolecular-orbital theory

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This is an authored directed relation from the source endpoint to the target endpoint.

Authored explanation

Molecular-orbital theory models metal–ligand bonding through symmetry-adapted donor and acceptor interactions; the chosen orbital partition is model dependent and correlation may require extensions.

How to interpret this relation type

The target is a model, idealization, restricted ansatz, approximation scheme, phenomenological fit, or historical representation used for the source system or theory. It need not have a universal small error parameter and is not thereby a controlled limit or effective theory. The edge label and detail must identify the precise status.

Relation sources

Outgoing relations (arrows from this concept)

Each relation below starts at this concept.

Molecular-orbital theoryChemical bond

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This is an authored directed relation from the source endpoint to the target endpoint.

Authored explanation

Molecular-orbital theory describes bonding through occupations of orbitals extending over the molecular framework.

How to interpret this relation type

A theory, law, or interaction describes the behavior of the target within a stated regime. The edge detail must state important limits or qualifications.

Relation sources

Molecular-orbital theoryPi bond

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This is an authored directed relation from the source endpoint to the target endpoint.

Authored explanation

Molecular-orbital theory labels pi orbitals and their bonding combinations by the nodal plane containing the internuclear axis, providing a symmetry-based description that need not imply localized electron pairs.

How to interpret this relation type

A theory, law, or interaction describes the behavior of the target within a stated regime. The edge detail must state important limits or qualifications.

Relation sources

Molecular-orbital theoryQuantum chemistry

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This is an authored directed relation from the source endpoint to the target endpoint.

Authored explanation

Molecular-orbital theory is one central approximation framework within quantum chemistry, not an observable decomposition of an exact many-electron state.

How to interpret this relation type

The source supplies a substantive formal ingredient, dynamical sector, law, field content, or mechanism of the target theoretical framework.

Relation sources

Molecular-orbital theorySigma bond

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This is an authored directed relation from the source endpoint to the target endpoint.

Authored explanation

Molecular-orbital theory labels orbitals and bonding combinations by their symmetry relative to the internuclear axis, yielding sigma and pi bonding descriptions within the model.

How to interpret this relation type

A theory, law, or interaction describes the behavior of the target within a stated regime. The edge detail must state important limits or qualifications.

Relation sources