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.
Reaction enthalpies (kcal/mol) for the production of MCCCN species from M + BrCCCN. The level of calculation is CCSD(T)/aug-cc-pVTZ//MP2/aug-cc-pVTZ, including ZPE corrections at the MP2 level.
| Reaction | Li | Na | Mg | Ca | Al | Cu |
|---|---|---|---|---|---|---|
| M+ BrCCCN → Br + MCCCN | -17.14 | -7.37 | 16.46 | 0.73 | -12.49 | -14.48 |
