GeneralInteresting ChemistryChemical BondChemical BondingElectronChimieAnglais

Quintuple bonds: resurfaced.

https://doi.org/10.59350/zjckj-vtg10
Publié in Henry Rzepa's Blog

Six years ago, I posted on the nature of a then recently reported[cite]10.1002/anie.200803859[/cite] Cr-Cr quintuple bond. The topic resurfaced as part of the discussion on a more recent post on NSF 3 , and a sub-topic on the nature of the higher order bonding in C 2 . The comment made a connection between that discussion and the Cr-Cr bond alluded to above.

References

InChI=1S/2CH4N2.2Cr/c2*2-1-3;;/h2*2-3H,1H2;;/q2*-2;2*+2RQSAWIGEXQYWKX-UHFFFAOYSA-N

C 2 H 6 Cr 2 N 4

https://doi.org/10.14469/ch/191857
Publié
Auteurs Henry S Rzepa, Imperial College London, Imperial College London, Henry S Rzepa

# CASSCF(10,10)/6-311G(d) output=wfn pop=NO density=current scf(conver