Orbitals and Electronic Band Structures (Part 4, Polyenes Revisited: k Vectors for MO’s)
Автор: Peter Davies
Загружено: 2021-05-03
Просмотров: 905
To understand molecular bonding and electronic structure, chemists use orbital models, while physicists often rely on the k-vector to construct electronic band diagrams for solid-state systems. Visualizing the connection between orbitals and k-space diagrams can be challenging. These tutorials, designed for materials science undergraduates, aim to provide the necessary intuition and understanding.
Part 4 revisits p-orbital conjugation in polyenes and explains the energies of the molecular orbitals in terms of a k-vector.
The content is based on seminal papers by Roald Hoffmann, which are recommended for those seeking a more in-depth treatment, such as "How Chemistry and Physics Meet in the Solid State", Angew. Chem. Int. Ed. Engl. 26, [1987], 846-87.
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