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.
Electronic structure values of DHFP.
| EHOMO(eV) | ELUMO(eV) | ΔE (eV) | IP(eV) | EA (eV) | χ (eV) | φ (eV) | η (eV) | σ (eV−1) |
|---|---|---|---|---|---|---|---|---|
| −6.4320 | −0.6138 | 5.8182 | 6.4320 | 0.6138 | 3.5229 | −3.5229 | 2.9091 | 0.3437 |
IP= Ionization Potential = -HOMO, EA = Electron Affinity = -LUMO.
χ = Electronegativity = (IP + EA)/2, φ = Chemical potential = - χ,
η = Chemical hardness = (IP-EA)/2, σ = Chemical softness = 1/η.
