Fig. 3: DFT calculations.
From: Construction of N−E bonds via Lewis acid-promoted functionalization of chromium-dinitrogen complexes
Fuzzy bond orders (blue) and Hirshfeld atomic charges (orange) for [Cp*(IiPr2Me2)Cr(NNSiMe3)] (left) and 2b (right). Wavefunctions were generated at the PWPB95/def2-QZVPP level of theory.
