Issue 21, 2020

Structure and bonding of molecular stirrers with formula B7M2 and B8M2 (M = Zn, Cd, Hg)

Abstract

In this work, we systematically explored clusters with formula B7M2 and B8M2 (M = Zn, Cd, Hg). The putative global minima are formed by an M2 dimer and a disk-shaped boron wheel. Moreover, the chemical bonding analysis revealed that charge transfer from the metal atoms to the boron motifs resulted in (B7)3−(M2)2+ and (B8)2−(M2)2+ complexes with double (σ + π) aromatic boron wheels and a single bond for the metallic dimer. Above all, the computed rotational barriers of the M–M fragment with respect to the boron disk and molecular dynamics simulations indicate a virtually barrierless spin, resembling a magnetic stirrer on a baseplate.

Graphical abstract: Structure and bonding of molecular stirrers with formula B7M2− and B8M2 (M = Zn, Cd, Hg)

Supplementary files

Article information

Article type
Paper
Submitted
25 Mar 2020
Accepted
11 May 2020
First published
11 May 2020

Phys. Chem. Chem. Phys., 2020,22, 12312-12320

Structure and bonding of molecular stirrers with formula B7M2 and B8M2 (M = Zn, Cd, Hg)

R. Yu, J. Barroso, M. Wang, W. Liang, C. Chen, X. Zarate, M. Orozco-Ic, Z. Cui and G. Merino, Phys. Chem. Chem. Phys., 2020, 22, 12312 DOI: 10.1039/D0CP01603A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements