Search for C-60-based synthetic metals

摘要

C-60 forms solvates with dimethylnaphthalenes (DMNAP) of either 1:1 or 1:2 molar ratio. All these solvates crystallize in the triclinic lattice with different lattice parameters. The C-60(DMNAP)(2) solvates decompose at approximately 80-120 degrees C to the C(60)DMNAP solvates. At higher temperatures the second solvent molecule is released and C-60 returns to the f.c.c. lattice. In our experiments we searched for C-60-based solvates where, in the solid form, the pi-electron-rich fragments of the solvent molecules might be forced to a close contact with fullerenes, thus leading to a deformation of molecules and an overlap of the molecular orbitals. Molecular mechanical methods were used to optimize the structure of the molecules in the lattice determined by X-ray diffraction and semi-empirical quantum chemistry methods to calculate the electronic structure of the solvates. (C) 1998 Elsevier Science S.A. All rights reserved. [References: 6]