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

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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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REFERENCES

  1. M. S. Chekulaev and S. G. Yastrebov, Tech. Phys. Lett. 45, 414 (2019).

    Article  ADS  Google Scholar 

  2. T. R. Geballe, ASP Conf. Ser. 122, 119 (1997).

  3. I. C. Lyon, Meteorit. Planet. Sci. 40, 981 (2005).

    Article  ADS  Google Scholar 

  4. H.-T. Huang, L. Zhu, M. D. Ward, T. Wang, B. Chen, B. L. Chaloux, Q. Wang, A. Biswas, J. L. Gray, B. Kuei, G. D. Cody, A. Epshteyn, V. H. Crespi, J. V. Badding, and T. A. Strobel, J. Am. Chem. Soc. 142, 17944 (2020). https://doi.org/10.1021/jacs.9b12352

    Article  Google Scholar 

  5. Avogadro: An Open-Source Molecular Builder and Visualization Tool, Version 1.2.0. http://avogadro.cc/.

  6. M. D. Hanwell, D. E. Curtis, D. C. Lonie, T. Vandermeersch, E. Zurek, and G. R. Hutchison, J. Cheminform. 4, 17 (2012).

    Article  Google Scholar 

  7. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. Marenich, J. Bloino, B. G. Janesko, et al., Gaussian 09, Revision D.01 (Gaussian Inc., Wallingford CT, 2013).

    Google Scholar 

  8. H. B. Schlegel, J. Comp. Chem. 3, 214 (1982). https://doi.org/10.1002/jcc.540030212

    Article  Google Scholar 

  9. X. Li and M. J. Frisch, J. Chem. Theory Comput. 2, 835 (2006). https://doi.org/10.1021/ct050275a

    Article  Google Scholar 

  10. N. B. Hasan, Adv. Phys. Theor. Appl. 24, 83 (2013).

    ADS  Google Scholar 

  11. E. L. Fitzpatrick and D. L. Massa, Astrophys. J. Suppl. 72, 163 (1990).

    Article  ADS  Google Scholar 

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  1. Ioffe Physical Technical Institute, Russian Academy of Sciences, 194021, St. Petersburg, Russia

    M. S. Chekulaev & S. G. Yastrebov

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  1. M. S. Chekulaev
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  2. S. G. Yastrebov
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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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  • DOI: https://doi.org/10.1134/S1063785021020218

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