Quantifying plasmonic characteristics of pure and alkali doped aluminium clusters.

Study of plasmonic response of molecules and metal nanoclusters have drawn a considerable attention during recent times due to their various practical applications. In this study, the optical properties and the plasmonic response of our recently reported Al cluster [Guin et al. Journal of Molecular Graphics and Modelling, 2020, 97, 107544] and its alkali doped counterparts [Guin et al.

Electric field-driven up-and-down motion of the flexible tail of Al cluster system-a nano-scale flipper.

Context: Dynamic metal nanoclusters have become a hot area of research in the field of nanoscience and nanotechnology due to their potential applications in micro devices. One such dynamic cluster is a quasi-planar ground state (GS) Al cluster which exhibits an electric field driven up and down flipping motion of the flexible tail which oscillates with respect to the mean plane. A Car-Parrinello molecular dynamics (CPMD) simulation has been carried out to understand the nature of dynamics of the cluster.

Effect of alkali atom doping on the electronic structure and aromatic character of planar and quasi-planar Al clusters.

A set of three Al clusters, one perfectly planar, and two quasi-planar structures, have been recently reported by our group (Guin et al. Journal of Molecular Graphics and Modeling, 2020, 97, 107544). All three clusters possess bilateral symmetry with identical structural features-a set of ten aluminum atoms encircle a triangular core.

Planarity does not always mean higher aromaticity - Intriguing metalloaromaticity of three Al isomers.

A pair of Al clusters, one perfectly planar (CI) and another quasi-planar structure (CII) have been reported recently by our group [Guin et al. Journal of Molecular Modeling, 2018, 24, 344]. Both these clusters are rare examples of metal-aromatic systems having unique aromatic character.

First report of a planar and a quasi-planar Al cluster having localized antiaromatic deltas within an aromatic sea: NICS, ELF, AIM, and AdNDP bonding analysis.

A perfectly planar Al cluster (CI) and a quasi-planar Al cluster (CII) have been found for the first time. Both clusters have a triangular core surrounded by a set of ten Al atoms in the form of a ring. These cationic clusters have substantial aromatic character.