The Band Structure of Polyferrocenylene
The 1D polyferrocenylene system is employed for an analysis of “hybridization” effects in the HF bands of complex organometal1ic solids. An important physical consequence of this type of hybridization is a strong k-dependence in the character of the CO microstates (i.e. correlation between localized metal-centered and delocalized ligand basis functions) in a given energy band. This is a solid-state phenomenon which is (frequently) not found in the molecular building blocks. Hybridization is enhanced in the case of extended units with closely spaced one-electron energies in the ligand unit and at the transition—metal center. Trans polyferrocenylene, see fig. IV.26, is one member in a larger class of conducting or semiconducting materials that are formed by ferrocene-like units [IV.108–IV.110].
KeywordsMolecular Building Block Important Physical Consequence Primitive Translation Ligand Unit Primitive Translation Vector
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