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Quantum Chemistry
Reevaluating Valence-Shell Electron Pair Repulsion and Hybrid Atomic Orbitals in Chemical Education.
PubMed
Authors: Thomasi SS, Silva PRD, Freitas MP
Year
2026
Paper ID
76025
Status
Peer-reviewed
Abstract Read
~2 min
Abstract Words
114
Citations
N/A
Abstract
The validity of the valence-shell electron pair repulsion (VSEPR) and hybrid orbitals (HO's) in explaining molecular shape has been extensively debated. Here, we provide simple examples that challenge the notion of VSEPR and HO's as the primary determinants of electronic and atomic arrangement in space. Instead, we propose that these approaches are conceptual constructs that require further deconstruction in chemistry (or related disciplines). The introduction of the concept of linear combination of atomic orbitals (LCAO) within the framework of molecular orbital (MO) theory proves to be more insightful. Furthermore, we present a visual representation of how molecular geometry can be effectively explained by MO theory, providing a more realistic approach to understanding this concept.
Why This Paper Matters
- This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
- It adds a 2026 reference point for readers tracking recent quantum research.
- The validity of the valence-shell electron pair repulsion (VSEPR) and hybrid orbitals (HO's) in explaining molecular shape has been extensively debated.
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