4.7 Article

Structure and bonding of [Pd2Sn18]4-: an interesting example of the mutual delocalisation phenomenon

Journal

DALTON TRANSACTIONS
Volume 46, Issue 7, Pages 2214-2219

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c6dt04561h

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Funding

  1. Research Grants Council of Hong Kong [N_HKUST603/15]
  2. National Natural Science Foundation of China [21603117]
  3. Hong Kong Ph.D. Fellowship Scheme [PF11-08816]

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In this article, we have presented a computational analysis on the structure and bonding of [Pd2Sn18](4-)and illustrated that it serves as an interesting example of OMO-UMO mutual delocalisation with two identical [PdE9](2-) fragments. We have also illustrated the alternative roles that could be played by an [ME9](2-)/[E-9](2-) fragment, a simple L-type donor and a lone-pair acceptor.

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