Issue 20, 2021

Weak covalent interactions and anionic charge-sharing polymerisation in cluster environments

Abstract

We discuss the formation of weak covalent bonds leading to anionic charge-sharing dimerisation or polymerisation in microscopic cluster environments. The covalent bonding between cluster building blocks is described in terms of coherent charge sharing, conceptualised using a coupled-monomers molecular-orbital model. The model assumes first-order separability of the inter- and intra-monomer bonding structures. Combined with a Hückel-style formalism adapted to weak covalent and solvation interactions, it offers insight into the competition between the two types of forces and illuminates the properties of the inter-monomer orbitals responsible for charge-sharing dimerisation and polymerisation. Under typical conditions, the cumulative effect of solvation obstructs the polymerisation, limiting the size of covalently bound core anions.

Graphical abstract: Weak covalent interactions and anionic charge-sharing polymerisation in cluster environments

Supplementary files

Article information

Article type
Perspective
Submitted
18 מרץ 2021
Accepted
04 מאי 2021
First published
06 מאי 2021

Phys. Chem. Chem. Phys., 2021,23, 11596-11610

Author version available

Weak covalent interactions and anionic charge-sharing polymerisation in cluster environments

Y. Dauletyarov and A. Sanov, Phys. Chem. Chem. Phys., 2021, 23, 11596 DOI: 10.1039/D1CP01213D

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