Issue 11, 2017

Nb2©Au6: a molecular wheel with a short Nb[triple bond, length as m-dash]Nb triple bond coordinated by an Au6 ring and reinforced by σ aromaticity

Abstract

We report a photoelectron spectroscopy and high-resolution photoelectron imaging study of a bimetallic Nb2Au6 cluster. Theoretical calculations, in conjunction with the experimental data, reveal that Nb2Au6−/0 possess high-symmetry D6h structures featuring a Nb–Nb axis coordinated equatorially by an Au6 ring. Chemical bonding analyses show that there are two π bonds and one σ bond in the Nb2 moiety in Nb2©Au6, as well as five totally delocalized σ bonds. The Nb[triple bond, length as m-dash]Nb triple bond is strengthened significantly by the delocalized σ bonds, resulting in an extremely short Nb–Nb bond length comparable to the quintuple bond in gaseous Nb2. The totally delocalized σ bonding in Nb2©Au6 is reminiscent of σ aromaticity, representing a new bonding mode in metal–ligand systems. The unusually short Nb–Nb bond length in Nb2©Au6 shows that the Au6 ring can serve as a bridging ligand to facilitate multiple bonding in transition metal dimers via delocalized σ bonding.

Graphical abstract: Nb2©Au6: a molecular wheel with a short Nb [[triple bond, length as m-dash]] Nb triple bond coordinated by an Au6 ring and reinforced by σ aromaticity

Supplementary files

Article information

Article type
Edge Article
Submitted
30 Jun 2017
Accepted
13 Sep 2017
First published
15 Sep 2017
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY-NC license

Chem. Sci., 2017,8, 7528-7536

Nb2©Au6: a molecular wheel with a short Nb[triple bond, length as m-dash]Nb triple bond coordinated by an Au6 ring and reinforced by σ aromaticity

T. Jian, L. F. Cheung, J. Czekner, T. Chen, G. V. Lopez, W. Li and L. Wang, Chem. Sci., 2017, 8, 7528 DOI: 10.1039/C7SC02881D

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