Regiocontrolled halogen dance of 2,5-dibromopyrroles using equilibrium between dibromopyrrolyllithiums

Abstract

A regiocontrolled halogen dance of 2,5-dibromopyrroles provides isomeric dibromopyrroles using an N,N-dimethylsulfamoyl group that facilitates interconversion of 2,3- and 2,4-dibromopyrrolyllithiums.

Children's emergent mechanistic reasoning in chemistry: a case study about early primary students’ reasoning about the phenomenon of thermal expansion of air

Recent advances in the synthesis of chromenone fused pyrrolo[2,1-a]isoquinoline derivatives

Abstract

This review, from 2016 to 2022, summarizes advances in the synthesis of 2- and 4-chromenones fused to the five-membered ring of pyrrolo[2,1-a]isoquinolines in diverse orientations highlighting modes of ring construction by classical and transition metal-catalyzed methods.

The E₃ state of FeMoco: one hydride, two hydrides or dihydrogen?

Abstract

The E₃ redox state of nitrogenase was systematically investigated by QM/MM calculations. The most stable structures feature an open belt-sulfide bridge and varying double-hydride coordination (or an H₂ ligand).

N₂ binding to the E₀–E₄ states of nitrogenase

Abstract

We study the binding of N₂ to nitrogenase in the E₀–E₄ state with QM/MM and four DFT functionals. In general, structures with two hydride ions bridging the same pair of Fe ions and a sulfide ion dissociated from one Fe ion are low in energy.