title: Directing protonation in [FeFe] hydrogenase active site models by modifications in their second coordination sphere.
abstract: Subtle changes in the second coordination sphere of [Cl(2)bdtFe(2)(CO)(4)(Ph(2)P-CH(2)-X-CH(2)-PPh(2))] (bdt = benzene-1,2-dithiolate, X = NCH(3), NCH(2)CF(3), CH(2)) that do not influence the electronic character of the Fe(2) center can however direct protonation to three different sites: the N in the bis-phosphane, the Fe-Fe bond or the bdt-S.
authors.affiliation: Department of Photochemistry and Molecular Science, Angström Laboratories, Uppsala University, Box 523, 75120 Uppsala, Sweden.
authors.forename: Salah
authors.initials: S
authors.lastname: Ezzaher
authors.forename: Adolf
authors.initials: A
authors.lastname: Gogoll
authors.forename: Clemens
authors.initials: C
authors.lastname: Bruhn
authors.forename: Sascha
authors.initials: S
authors.lastname: Ott
mesh_terms: D020134:Catalytic Domain; D056831:Coordination Complexes / Q000737:chemistry; D006864:Hydrogenase / Q000737:chemistry* / Q000378:metabolism; D007506:Iron-Sulfur Proteins / Q000737:chemistry* / Q000378:metabolism; D011522:Protons; D013055:Spectrophotometry, Infrared
chemical_list: D056831:Coordination Complexes; D007506:Iron-Sulfur Proteins; D011522:Protons; C118830:iron hydrogenase; D006864:Hydrogenase