Figure 4. Reaction route located by means of DFT calculations.
Optimizations: B3LYP/LANL2DZ (Ni, Sn)&6-31G* (H, C, N and F). Single-point energies: M06(polarizable continuum model, solvent=1, 4-dioxane)/SDD (Ni, Sn)&6-311++G** (H, C, N and F).
Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.