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Stability and vibrational spectra of toroidal isomers of C 240

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Abstract

To study the thermodynamic and mechanical stability of toroidal isomers of C 240, we use a semi-empirical tight-binding theory and calculate their electronic structure, cohesive energy and vibrational spectra within the harmonic approximation. From these, we deduce their free energy at temperatures up to 1500K. The results are also compared to the isomer with icosahedral symmetry. Finally, we discuss within this approach, their stability and abundance.

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Correspondence to Keivan Esfarjani.

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Esfarjani, K., Hashi, Y., Itoh, S. et al. Stability and vibrational spectra of toroidal isomers of C 240 . Z Phys D - Atoms, Molecules and Clusters 41, 73–76 (1997). https://doi.org/10.1007/s004600050292

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Keywords

  • Fullerene
  • Vibrational Spectrum
  • Cohesive Energy
  • Harmonic Approximation
  • Total Free Energy