Structure and donor–acceptor properties of Au12M (M = Hf, Ta, W, Re, and Os) intermetallic clusters View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2017-01

AUTHORS

V. G. Yarzhemsky, M. A. Kazaryan, Yu. A. Dyakov, V. O. Izotova, O. K. Kosheleva

ABSTRACT

Evolution of three-dimensional configurations, electronic properties, and energies of attachment of donor and acceptor ligands to Au12M (M = Hf, Ta, W, Re, and Os) intermetallic clusters were studied by quantum-chemical methods. The attachment of F to clusters Au12Re and Au12Os and the attachment of H to clusters Au12Ta and Au12Hf are found to give rise to more symmetric structures. The energies of attachment of F to >18-electron Au12M clusters and the energies of attachment of H to <18-electron clusters exceed the energies of attachment of the same atoms to 18-electron cluster Au12W and to cluster Au12. More... »

PAGES

72-76

References to SciGraph publications

  • 2009-08-16. Demonstration of a spaser-based nanolaser in NATURE
  • 2015-08-04. Electronic structure of a gold nanotube in RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
  • 2005-10-19. Gold rush in NATURE
  • 2011-12-23. The structure of gold nanoparticles and Au based thiol self-organized monolayers in RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
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    http://scigraph.springernature.com/pub.10.1134/s0036023617010235

    DOI

    http://dx.doi.org/10.1134/s0036023617010235

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