Metal Complexes in Biomimetic Chemical Reactions. N2 Fixation in Solution, Activation and Oxidation of Alkanes, Chemical Models of Photosynthesis

Quantum chemical modeling of chiral cata

Quantum chemical modeling of chiral catalysis. Part 18. Conformational studies on chiral N-sulfonylated 1,3,2-oxazaborolidines and related aldehyde complexes potentially involved in the catalytic asymmetric diels-alder reactions

✍ Vesa Nevalainen 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 502 KB

Properties of Lewis acidic oxazaborolidines 1 were investigated by means of ab initio MO methods (RHF, Ksulfonylated 1,3,2-oxazaborolidine 1' as a model). Energies of the coordination of aldehydes to 1 were estimated by using formaldehyde and acrolein adducts of 1' as models. Energies (MP2/6-31G//6-