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◆ Anais da Academia Brasileira de Ciencias2026-01-01

Reevaluating Valence-Shell Electron Pair Repulsion and Hybrid Atomic Orbitals in Chemical Education.

Sérgio S Thomasi, Paulo R DA Silva, Matheus P Freitas

原始摘要(英文原文)· Original 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.
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Reevaluating Valence-Shell Electron Pair Repulsion and Hybrid Atomic Orbitals in Chemical Education. — 科研速览 Science Skim