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Updated: Jan 19, 2026
π Molecular Orbitals of 1,3-Butadiene
Pyridine-acetaldehyde, a molecular balance to explore the n→π* interaction
Susana Blanco1, Alberto Macario1, Juan Carlos López1
1Departamento de Química Física y Q. Inorgánica, IU CINQUIMA, Facultad de Ciencias, Universidad de Valladolid, E-47011 Valladolid, Spain. sblanco@qf.uva.es jclopez@qf.uva.es.
Abstract:
The complex pyridine-acetaldehyde is formed through an n→π* interaction and a C-HO contact. The acetaldehyde methyl group internal rotation induces a phase-locked intermolecular oscillation along the Bürgi-Dunitz coordinate. Surprisingly, this sort of molecular balance extracts energy through the n→π* interaction to reduce the size of the internal rotation barrier.
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