Molecular and electronic structure of bromamines

AbstractMolecular and electronic structures and properties of NH2Br, NHBr2, and NBr3 have been studied using ab initio calculations at the Hartree–Fock (HF) and MP2 levels with the aim of complementing very scarce experimental information available for the title molecules. The properties and molecular structures of bromamines are discussed in relationship to other haloamines (fluor‐ and chloramines).