Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 122, 2024 - Issue 4
83
Views
0
CrossRef citations to date
0
Altmetric
Research Article

Prism rather than tetrahedron: low-energy structures for gaseous gold clusters Au10(O2)n+ by density functional calculations

, , &
Article: e2252109 | Received 12 Mar 2023, Accepted 30 Jul 2023, Published online: 31 Aug 2023

References

  • A.A. Herzing, C.J. Kiely, A.F. Carley, P. Landon and G.J. Hutchings, Science. 321, 1331–1335 (2008). doi:10.1126/science.1159639.
  • B.K. Min and C.M. Friend, Chem. Rev. 107, 2709–2724 (2007). doi:10.1021/cr050954d.
  • J. Brindle and M.M. Nigra, ACS Omega. 6, 24269–24279 (2021). doi:10.1021/acsomega.1c04236.
  • M.A. Dar and S. Krishnamurty, ACS Omega. 4, 12687–12695 (2019). doi:10.1021/acsomega.9b01581.
  • N. Biswakarma, P.J. Sarma, S.D. Baruah, N.K. Gour and R.C. Deka, J. Phys. Chem. C. 124, 3059–3068 (2020). doi:10.1021/acs.jpcc.9b09726.
  • J. Ma, X. Cao, H. Liu, B. Yin and X. Xing, Phys. Chem. Chem. Phys. 18, 12819–12827 (2016). doi:10.1039/C6CP01156J.
  • S. Nigam and C. Majumder, Appl. Surf. Sci. 547, 149160 (2021). doi:10.1016/j.apsusc.2021.149160.
  • M. Comotti, C. Della Pina, R. Matarrese and M. Rossi, Angew. Chem. Int. Ed. 43, 5812–5815 (2004). doi:10.1002/anie.200460446.
  • Y. Gao, N. Shao, Y. Pei, Z. Chen and X.C. Zeng, ACS Nano. 5, 7818–7829 (2011). doi:10.1021/nn201817b.
  • M. Gao, D. Horita, Y. Ono, A. Lyalin, S. Maeda and T. Taketsugu, J. Phys. Chem. C. 121, 2661–2668 (2017). doi:10.1021/acs.jpcc.6b09919.
  • R. Pal, L.-M. Wang, Y. Pei, L.-S. Wang and X.C. Zeng, J. Am. Chem. Soc. 134, 9438–9445 (2012). doi:10.1021/ja302902p.
  • N.S. Khetrapal, D. Deibert, R. Pal, L.F. Cheung, L.-S. Wang and X.C. Zeng, J. Phys. Chem. Lett. 12, 3560–3570 (2021). doi:10.1021/acs.jpclett.1c00546.
  • L. Huang, W. Liu, J. Hu and X. Xing, J. Phys. Chem. A. 125, 9995–10005 (2021). doi:10.1021/acs.jpca.1c06507.
  • H.X. Shi, W.G. Sun, X.Y. Kuang, C. Lu, X.X. Xia, B.L. Chen and A. Hermann, J. Phys. Chem. C. 121, 24886–24893 (2017). doi:10.1021/acs.jpcc.7b09022.
  • P. Hohenberg and W. Kohn, Phys. Rev. 136, B864–B871 (1964). doi:10.1103/PhysRev.136.B864.
  • T. Ito, G.N. Patwari, M. Arakawa and A. Terasaki, J. Phys. Chem. A. 118, 8293–8297 (2014). doi:10.1021/jp501111f.
  • S.M. Lang, T.M. Bernhardt, R.N. Barnett, B. Yoon and U. Landman, J. Am. Chem. Soc. 131, 8939–8951 (2009). doi:10.1021/ja9022368.
  • C.-Y. Mang, C.-P. Liu and K.-C. Wu, Mol. Phys. 119, e1812744 (2021). doi:10.1080/00268976.2020.1812744.
  • A.P. Woodham and A. Fielicke, Angew. Chem. Int. Ed. 53, 6554–6557 (2014). doi:10.1002/anie.201402783.
  • E.M. Cunningham, A.S. Gentleman, P.W. Beardsmore, A. Iskra and S.R. Mackenzie, J. Phys. Chem. A. 121, 7565–7571 (2017). doi:10.1021/acs.jpca.7b07628.
  • J. Velasquez, B. Njegic, M.S. Gordon and M.A. Duncan, J. Phys. Chem. A. 112, 1907–1913 (2008). doi:10.1021/jp711099u.
  • Y. Li, G. Wang, C. Wang and M. Zhou, J. Phys. Chem. A. 116, 10793–10801 (2012). doi:10.1021/jp3094963.
  • Y. Li, L. Wang, H. Qu, G. Wang and M. Zhou, J. Phys. Chem. A. 119, 3577–3586 (2015). doi:10.1021/acs.jpca.5b00747.
  • T.B. Ward, A.D. Brathwaite and M.A. Duncan, Top. Catal. 61, 49–61 (2018). doi:10.1007/s11244-017-0859-0.
  • A.S. Gentleman, A.E. Green, D.R. Price, E.M. Cunningham, A. Iskra and S.R. Mackenzie, Top. Catal. 61, 81–91 (2018). doi:10.1007/s11244-017-0868-z
  • A.E. Green, S. Schaller, G. Meizyte, B.J. Rhodes, S.P. Kealy, A.S. Gentleman, W. Schöllkopf, A. Fielicke and S.R. Mackenzie, J. Phys. Chem. A. 124, 5389–5401 (2020). doi:10.1021/acs.jpca.0c03813.
  • A.E. Green, A.S. Gentleman, W. Schöllkopf, A. Fielicke and S.R. Mackenzie, Phys. Rev. Lett. 127, 033002 (2021). doi:10.1103/PhysRevLett.127.033002.
  • Y. Tawada, T. Tsuneda, S. Yanagisawa, T. Yanai and K. Hirao, J. Chem. Phys. 120, 8425–8433 (2004). doi:10.1063/1.1688752.
  • O.A. Vydrov and G.E. Scuseria, J. Chem. Phys. 125, 234109 (2006). doi:10.1063/1.2409292.
  • O.A. Vydrov, J. Heyd, A.V. Krukau and G.E. Scuseria, J. Chem. Phys. 125, 074106 (2006). doi:10.1063/1.2244560.
  • O.A. Vydrov, G.E. Scuseria and J.P. Perdew, J. Chem. Phys. 126, 154109 (2007). doi:10.1063/1.2723119.
  • F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys. 7, 3297–3305 (2005). doi:10.1039/b508541a.
  • T. Yanai, D.P. Tew and N.C. Handy, Chem. Phys. Lett. 393, 51–57 (2004). doi:10.1016/j.cplett.2004.06.011.
  • B.P. Pritchard, D. Altarawy, B. Didier, T.D. Gibson and T.L. Windus, J. Chem. Inf. Model. 59, 4814–4820 (2019). doi:10.1021/acs.jcim.9b00725.
  • D. Feller, J. Comput. Chem. 17, 1571–1586 (1996). doi:10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
  • K.L. Schuchardt, B.T. Didier, T. Elsethagen, L. Sun, V. Gurumoorthi, J. Chase, J. Li and T.L. Windus, J. Chem. Inf. Model. 47, 1045–1052 (2007). doi:10.1021/ci600510j.
  • P. Fuentealba, H. Stoll, L.V. Szentpaly, P. Schwerdtfeger and H. Preuss, J. Phys. B: At. Mol. Phys. 16, L323–L328 (1983). doi:10.1088/0022-3700/16/11/001.
  • P. Schwerdtfeger, M. Dolg, W.H.E. Schwarz, G.A. Bowmaker and P.D.W. Boyd, J. Chem. Phys. 91, 1762–1774 (1989). doi:10.1063/1.457082.
  • 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.V. Marenich, J. Bloino, B.G. Janesko, R. Gomperts, B. Mennucci, H.P. Hratchian, J.V. Ortiz, A.F. Izmaylov, J.L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V.G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J.A. Montgomery Jr., J.E. Peralta, F. Ogliaro, M.J. Bearpark, J.J. Heyd, E.N. Brothers, K.N. Kudin, V.N. Staroverov, T.A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A.P. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, J.M. Millam, M. Klene, C. Adamo, R. Cammi, J.W. Ochterski, R.L. Martin, K. Morokuma, O. Farkas, J.B. Foresman, and D.J. Fox, Gaussian 16W, Revision C.01, Gaussian, Inc., Wallingford CT, 2019.
  • J.S. Andrews, D. Jayatilaka, R.G.A. Bone, N.C. Handy and R.D. Amos, Chem. Phys. Lett. 183, 423–431 (1991). doi:10.1016/0009-2614(91)90405-X.
  • P.K. Nandi, T. Kar and A.B. Sannigrahi, J. Mol. Struct. Theochem. 362, 69–75 (1996). doi:10.1016/0166-1280(95)04382-9
  • P.K. Chattaraj, D.R. Roy, M. Elango and V. Subramanian, J. Phys. Chem. A. 109, 9590–9597 (2005). doi:10.1021/jp0540196.
  • C.-Y. Mang, X. Zhao, L.-X. He, C.-P. Liu and K.-C. Wu, J. Phys. Chem. A. 112, 1661–1665 (2008). doi:10.1021/jp076770f.
  • S. Silb, P. Weis, F. Furche, R. Ahlrichs and M.M. Keppes, J. Chem. Phys. 116, 4094 (2002). doi:10.1063/1.1445121.
  • X. Ding, Z. Li, J. Yang, J.G. Hou and Q. Zhu, J. Chem. Phys. 120, 9594 (2004). doi:10.1063/1.1665323.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.