Affiliation:
1. Department of Chemistry and Biochemistry Utah State University 0300 Old Main Hill Logan Utah 84322 USA
Abstract
AbstractBismuth polycations have garnered significant attention from researchers due to their extraordinary and counter‐intuitive structures and stoichiometries. Despite extensive experimental and theoretical investigations, understanding of the bonding in such clusters remains insufficient. An AdNDP bonding analysis was conducted to elucidate the bonding characteristics using both homoatomic and heteroatomic bismuth clusters with various stoichiometries. Analysis of the calculated nucleus‐independent chemical shift data confirmed the aromatic nature of these species. Universal bonding patterns were identified that can be applied to a range of homoatomic and heteroatomic bismuth clusters. Additionally, calculations of absorbance and fluorescence spectra were performed to gain insights into the near‐infrared emission and establish a potential correlation between absorbance and the identified bonding patterns.
Subject
General Chemistry,Catalysis,Organic Chemistry