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.
a) π‐LUMO orbital energy of CO as a function of the C−O distance r (in Å). b) σ‐ (solid) and π‐ (striped) orbital interactions (in kcal mol−1) for the systems at equilibrium. c) Interaction energy ΔE int (in kcal mol−1) when π‐back‐donation is inhibited (C−M distance fixed at 1.95 Å). All data obtained at the ZORA‐BLYP/TZ2P level of theory.
