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) Relaxed potential energy surface scan of the small model, calculated (b) VtC XES and (c) XAS spectra along the NIM‐Cu−NIM’ angle, on PBE0 geometries. The arrow indicates the trend from near tetrahedral to seesaw conformation. The energy shift in (b) is 134.4 eV and in (c) is 97.0 eV.
