title: Molecular titanium-hydroxamate complexes as models for TiO2 surface binding.
abstract: Hydroxamate binding modes and protonation states have yet to be conclusively determined. Molecular titanium(iv) phenylhydroxamate complexes were synthesized as structural and spectroscopic models, and compared to functionalized TiO2 nanoparticles. In a combined experimental-theoretical study, we find that the predominant binding form is monodeprotonated, with evidence for the chelate mode.
authors.affiliation: Energy Sciences Institute and Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA. victor.batista@yale.edu gary.brudvig@yale.edu.
authors.forename: Bradley J
authors.initials: BJ
authors.lastname: Brennan
authors.affiliation: Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA. robert.crabtree@yale.edu.
authors.forename: Jeffrey
authors.initials: J
authors.lastname: Chen
authors.affiliation: Energy Sciences Institute and Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA. victor.batista@yale.edu gary.brudvig@yale.edu.
authors.forename: Benjamin
authors.initials: B
authors.lastname: Rudshteyn
authors.affiliation: Energy Sciences Institute and Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA. victor.batista@yale.edu gary.brudvig@yale.edu.
authors.forename: Subhajyoti
authors.initials: S
authors.lastname: Chaudhuri
authors.affiliation: Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA. robert.crabtree@yale.edu.
authors.forename: Brandon Q
authors.initials: BQ
authors.lastname: Mercado
authors.affiliation: Energy Sciences Institute and Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA. victor.batista@yale.edu gary.brudvig@yale.edu.
authors.forename: Victor S
authors.initials: VS
authors.lastname: Batista
authors.affiliation: Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA. robert.crabtree@yale.edu.
authors.forename: Robert H
authors.initials: RH
authors.lastname: Crabtree
authors.affiliation: Energy Sciences Institute and Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA. victor.batista@yale.edu gary.brudvig@yale.edu.
authors.forename: Gary W
authors.initials: GW
authors.lastname: Brudvig