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.
Ligand orbital energies ε [eV] and proton affinities [kcal mol−1][a]
| ε(LP) | ε(π*) | PA | |
|---|---|---|---|
| NH3 | −6.05 | +1.42 | +201.4 |
| PH3 | −6.63 | −0.24 | +185.2 |
| CO | −8.93 | −1.92 | +141.5 |
[a] Computed at ZORA-BLYP/TZ2P. LP: lone pair, π*: acceptor orbital. Proton affinities (PA) from enthalpies at 298.15 K and 1 atm.
