A Three-Dimensional Synthetic Metallic Crystal Composed of Single-Component Molecules
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- 12 January 2001
- journal article
- other
- Published by American Association for the Advancement of Science (AAAS) in Science
- Vol. 291 (5502) , 285-287
- https://doi.org/10.1126/science.291.5502.285
Abstract
Molecular metals normally require charge transfer between two different chemical species. We prepared crystals of [Ni(tmdt) 2 ] (tmdt, trimethylenetetrathiafulvalenedithiolate) and carried out crystal structure analyses and resistivity measurements. The analyses and measurements revealed that these single-component molecular crystals are metallic from room temperature down to 0.6 kelvin. Ab initio molecular orbital calculations suggested that π molecular orbitals form conduction bands. The compact molecular arrangement, intermolecular overlap integrals of the highest occupied and lowest unoccupied molecular orbitals, and tight-binding electronic band structure calculation revealed that [Ni(tmdt) 2 ] is a three-dimensional synthetic metal composed of planar molecules.Keywords
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