Jump to main content
Jump to site search

Issue 17, 2016
Previous Article Next Article

Biicosahedral metallaboranes: aromaticity in metal derivatives of three-dimensional analogues of naphthalene

Author affiliations

Abstract

Consideration of the well-known very stable icosahedral B12H122− as a three-dimensional analogue of benzene was extended by the recent synthesis of the biicosahedral B21H18 as a three-dimensional analogue of naphthalene. The preferred structures of metallaboranes derived from B21H18 have now been examined by density functional theory. The isoelectronic species CpNiB20H17 and CpCoCB19H17 have the 46 skeletal electrons expected by the Wade-Mingos and Jemmis rules for a structure consisting of two face-sharing fused icosahedra. The CpM units in these structures energetically prefer to be located at a meta vertex of the biicosahedron. The analogous ferraboranes CpFeB20H17 with only 44 skeletal electrons also have related biicosahedral structures. The presence of an agostic hydrogen atom bridging an Fe–B edge compensates for the two-electron deficiency in CpFeB20H17 relative to CpNiB20H17. The nucleus-independent chemical shift (NICS) values of these systems indicate them to be strongly aromatic.

Graphical abstract: Biicosahedral metallaboranes: aromaticity in metal derivatives of three-dimensional analogues of naphthalene

Back to tab navigation

Supplementary files

Publication details

The article was received on 23 Sep 2015, accepted on 21 Dec 2015 and first published on 21 Dec 2015


Article type: Paper
DOI: 10.1039/C5CP05708F
Citation: Phys. Chem. Chem. Phys., 2016,18, 11707-11710
  •   Request permissions

    Biicosahedral metallaboranes: aromaticity in metal derivatives of three-dimensional analogues of naphthalene

    A. A. A. Attia, A. Lupan and R. Bruce King, Phys. Chem. Chem. Phys., 2016, 18, 11707
    DOI: 10.1039/C5CP05708F

Search articles by author

Spotlight

Advertisements