Chemical Bonding Topology of Superconductors. 1. Ternary Molybdenum Chalcogenides (Chevrel Phases)

摘要

Models for the chemical bonding topologies of ternary molybdenum chalcogenides (Chevrel phases) are derived using methods based on graph theory. The molybdenum sulfite Chevrel phases as well as their selenium analogues are viewed as three-dimensional lattices of edge-localized discrete molybdenum octanhedra link octahedra through face-sharing leads successively to the Mo9S11 napthalene analogue and the Mo12S14 anathracene analogue with increasing fusion leading to increasing delocalization of the chemical bonding topology within individual molybdenum cluster units. The infinite limit of such fusion of molybdenum octahedra corresponds to the infinite chain pseudo-one-dimensional metals which are formulated with globally delocalized octahedral cavities. Keywords: Superconductors, Bonding, Chemical, Topology, Delocalization, Porous Delocalization, Chevrel Phases, Molybdenum, Sulfur, Selenium, Tellurium, Octahedral, Metal, Graph Theory, Fusion of Octahedra, Edge-localized Polyhedra.