Electronically excited states in model complexes of clusters of precious metals with carbon nanodots
Theoretical calculations of excited states in complexes of gold and silver three-atom nanoclusters with carbon quantum nanodots have been performed using the M062X functional and the def2SVP {H}/def2TZVP/def2TZVPP{Ag, Au} hybrid basis set. The subsequent calculation of the excited states was performed in the approximation of the time-dependent density functional theory implemented in Gaussian09. The chromophore centers of the points were modeled by heterocyclic molecules of isoquino-diazaanthracene and benzopyrano-naphthydrine. The clusters were attached to the points by means of ethyl mercaptan and a methoxyethane bridge of various lengths. Energy transfer channels are considered depending on the mutual arrangement of energy levels of clusters and heterocycles.
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Keywords
excitation energy transfer, metal clusters, carbon nanodots, photophysical processesAuthors
| Name | Organization | |
| Pomogaev V.A. | National Research Tomsk State University; Kyungpook National University | vapom@mail.tsu.ru |
| Lee H.J. | Kyungpook National University | hyejinlee@knu.ac.kr |
| Goh E. | Kyungpook National University | hyejinlee@knu.ac.kr |
| Tchaikovskaya O.N. | National Research Tomsk State University | tchon@phys.tsu.ru |
| Kononov A.I. | Saint Petersburg State University | a.kononov@spbu.ru |
| Avranov P.V. | Kyungpook National University | paul.veniaminovich@knu.ac.kr |
References
1. Sciortino A., Cannizzo A., Messina F. // C: J. Carbon Research. - 2018. - V. 4. - No. 4. - P. 1-35.
2. Zhao D., Chen C., Lu L., et al. // Analyst. - 2015. - V. 140. - No. 24. - P. 8157-8164.
3. Hasenöhrl D.H., Saha A., Strauss V., et al. // J. Mater. Chem. B. - 2017. - V. 5. - No. 43. - P. 8591-8599.
4. Yan X., Li Q., Li L. // J. Am. Chem. Soc. - 2012. - V. 134. - No. 39. - P. 16095-16098.
5. Ran X., Sun H., Pu F., et al. // Chem. Commun. - 2013. - V. 49. - No. 11. - P. 1079-1085.
6. Rival J.V., Mymoona P., Lakshmi K.M., et al. // Micro and Nano: Small. 2021. - V. 17. - No. 27. - P. 2005718-2005728.
7. Reveguk Z.V., Pomogaev V.A., Kapitonova M.A., et al. // J. Phys. Chem. C. - 2021. - V. 125. - No. 6. - P. 3542-3552.
8. Buglak A.A., Pomogaev V.A., Kononov A.I. // Int. J. Quantum Chem. - 2019. - V. 119. - No. 20. - P. 25995-26016.
9. Sych T.S., Buglak A.A., Reveguk Z.V., et al. // J. Phys. Chem. C. - 2018. - V. 122. - No. 45. - P. 26275-26280.
10. Sych T.S., Zakhar V., Reveguk Z.R., et al. // J. Phys. Chem. C. - 2018. - V. 122. - P. 29549-29558.
11. Майер Г.В., Плотников В.Г., Артюхов В.Я. // Изв. вузов. Физика. - 2016. - Т. 59. - № 4. - С. 42-53.
12. Помогаев В.А., Артюхов В.Я. // Оптика атмосферы и океана. - 2001. - Т. 14. - № 11. - С. 1033-1037.
13. Помогаев В.А. // Химия высоких энергий. - 2002. - Т. 36. - № 4. - С. 285-289.
14. Артюхов В.Я., Майер Г.В. // Журн. физич. химии. - 2001. - Т. 75. - № 6. - С. 1143-1150.
15. Pomogaev V.A., Ramazanov R.R., Ruud R., Artyukhov V.Ya. // J. Photochem. Photobiol. A: Chemistry. - 2018. - V. 254. - P. 86-100.
16. Su W., Guo R., Yuan F., et al. // J. Phys. Chem. Lett. - 2020. - V. 11. - No. 4. - P. 1357-1363.
17. Chao D., Chen J., Dong Q., et al. // Nano Res. - 2020. - V. 13. - No. 11. - P. 3012-3018.
18. Zhu S., Meng Q., Wang L., et al. // Angew. Chem. Int. Ed. - 2013. - V. 52. - No. 14. - P. 3953-3957.
19. Tian P., Tang L., Teng K.S., Lau S.P. // Mater. Today Chem. - 2018. - V. 10. - P. 221-258.
20. Tang L., Ji R., Li X., et al. // J. Mater. Chem. C. - 2013. - V. 1. - No. 32. - P. 4908-4919.
21. Zhao Y., Truhlar D.G. // Theor. Chem. Account. - 2008. - V. 120. - No. 1-3. - P. 215-241.
22. Eichkorn K., Cannizzo A., Messina F. // Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). - 1997. - V. 97. - No. 1-4. - P. 119-124.
