title: Nitric oxide coupling mediated by iron porphyrins: the N-N bond formation step is facilitated by electrons and a proton.
abstract: The coupling of two NO molecules catalyzed by iron porphyrins is of biological importance. We use density functional theory calculations to examine the factors that control the fundamental N-N bond formation step mediated by a single iron porphyrin. The presence of an axial Im ligand, extra electrons, and most importantly a proton, enhance the N-N bond formation step in our model.
authors.affiliation: Department of Chemistry and Biochemistry, University of Oklahoma, Norman, Oklahoma 73019, USA. yijun@ou.edu
authors.forename: Jun
authors.initials: J
authors.lastname: Yi
authors.forename: Brian H
authors.initials: BH
authors.lastname: Morrow
authors.forename: Adam L O C
authors.initials: AL
authors.lastname: Campbell
authors.forename: Jana K
authors.initials: JK
authors.lastname: Shen
authors.forename: George B
authors.initials: GB
authors.lastname: Richter-Addo