Rational design of an Fe cluster catalyst for robust nitrogen activation

A robust N2 activation mode is proposed via transferring electrons to the N2–π* orbitals, py and pz.

Enantioselective synthesis of chiral tetrasubstituted allenes: harnessing electrostatic and noncovalent interactions in a bifunctional activation model for N-triflylphosphoramide catalysis

DFT calculation reveals that the oxygen activation model is preferred than the nitrogen activation model due to the preferred chiral electrostatic environment.