Racemization Pathway for MoO2(acac)2 Favored over Ray-Dutt, Bailar, and Conte-Hippler Twists.
Dhimba G, Muller A, Lammertsma K.
Dhimba G, et al. Among authors: muller a.
Inorg Chem. 2022 Sep 26;61(38):14918-14923. doi: 10.1021/acs.inorgchem.2c00824. Epub 2022 Aug 18.
Inorg Chem. 2022.
PMID: 35980189
Free PMC article.
Rotating both acac ligands of the Bailar structure by 90 gives the lower Conte-Hippler twist (20.0 kcal/mol), which represents a valley-ridge inflection that invokes the trans isomer. The most favorable is a new twist that was found by 90 rotation of only one acac l …
Rotating both acac ligands of the Bailar structure by 90 gives the lower Conte-Hippler twist (20.0 kcal/mol), which represents a vall …