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Resonating Valence Bonds in Chemistry and Solid Stateстатья
- Авторы: Plekhanov E.A., Tchougréeff A.L.
- Сборник: Handbook of Inorganic Chemistry
- Том: 5
- Глава в коллективной монографии
- Год издания: 2017
- Место издания: Wiley Interscience
- Первая страница: 87
- Последняя страница: 117
- DOI: 10.1002/9783527691036.hsscvol5007
- Аннотация: This chapter is conceived as a combination of two complementary parts. In the first part, we discuss (largely qualitatively) the relations between the resonance valence bond (RVB) and tight-binding/linear combination of atomic orbitals (LCAO) pictures of the electronic structure using the archetypal example: the π-system of benzene well known to chemists – the principal readers of this volume. The substance of the differences between the two is rarely clearly recognized, although the divergence between them in “molecular” quantum chemistry is well appreciated even as potentially reaching the degree of a “never-ending rivalry” [1]. The second more formal, more physical, and more solid-state part is devoted to extensions of the RVB ideas to solids. This requires a modification of the single determinant form of the electronic wave function based on the tight-binding/LCAO scheme characteristic for solids to enable it to model RVB states. We exemplify these issues by several simple models ranging from the one-dimensional polyene chain: an infinite extension of benzene (hexatriene) molecule – through graphene and finish by probably the most spectacular example of the enigmatic quantum RVB state of copper(II) carbodiimide (CuNCN) – a new material, where an assumption of the RVB character of its electronic phases was crucial for explaining its room- and low-temperature physics. The possibility of the RVB phase/state of high-Tc cuprate superconductors is also briefly discussed.
- Добавил в систему: Чугреев Андрей Львович