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.
NPA bond polarization coefficients, λ of hybridization spλ, and bond energies using MP2/6-311+G*.
| C2-N63 (Hartrees) | C2 cA | Hybrid | N63 cA | Hybrid |
|---|---|---|---|---|
| σ bond (-1.34464) | 0.6539 | sp1.10 | 0.7566 | sp1.13 |
| π bond (-0.47556) | 0.6601 | p1.00 | 0.7512 | p1.00 |
| π bond (-0.47536) | 0.6688 | p1.00 | 0.7434 | p1.00 |
