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Optical Absorption of C32H24 and C32H36 Hybrid Molecular Clusters Based on Diamondene–Graphene Fragments

Abstract

The density functional theory has been used to optimize the geometry and study the optical absorbance (molar extinction) spectra of molecular clusters based on C32H24 and C32H36 diamondene–graphene hybrid fragments with dangling bonds compensated by the attachment of hydrogen. Calculated spectra were compared to the results of astrophysical observations. It is established that hybrid molecular clusters can contribute to formation of the well-known light extinction spectrum of the interstellar medium.

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Correspondence to M. S. Chekulaev.

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Translated by P. Pozdeev

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Chekulaev, M.S., Yastrebov, S.G. Optical Absorption of C32H24 and C32H36 Hybrid Molecular Clusters Based on Diamondene–Graphene Fragments. Tech. Phys. Lett. 47, 174–176 (2021). https://doi.org/10.1134/S1063785021020218

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Keywords:

  • graphene
  • diamondene
  • polycyclic aromatic hydrocarbons.