Multi-decker Sandwich Complexes Using Be-3(2-) and Mg-3(2-) Dianions

摘要

Global and local reactivity descriptors as well as the nucleus independent chemical shift values of different multi-decker sandwich complexes involving Be-3(2-) and Mg-3(2-) dianions are calculated at the B3LYP/6-311+G* level of theory. Important insights into their bonding, reactivity, and aromaticity are obtained through this study.