title: Reply To: How Does Substitutional Doping Affect Visible Light Absorption in a Series of Homodisperse Ti11 Polyoxotitanate Nanoparticles--A Comment on the Band Gap Determination of the Fe(II) Cages.
abstract: A summary of the evidence based on spectroscopy, calculated density of states (DOS) and photo-electrochemistry, for electron transfer from the occupied Fe(2+) (d)-β orbital located within the band gap of the [Ti4 O(OEt)15 (FeBr)] cluster, to its unoccupied Ti(d) orbitals is presented. The importance of the distinction between the concepts of band gap and HOMO-LUMO gap is emphasized.
authors.affiliation: Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, NY, 14260-3000, USA.
authors.forename: Yang
authors.initials: Y
authors.lastname: Chen
authors.affiliation: Department of Chemistry, University of Warsaw, Pasteura 1, 02-093, Warszawa, Poland.
authors.forename: Katarzyna N
authors.initials: KN
authors.lastname: Jarzembska
authors.affiliation: Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, NY, 14260-3000, USA.
authors.forename: Elzbieta
authors.initials: E
authors.lastname: Trzop
authors.affiliation: Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, NY, 14260-3000, USA. coppens@buffalo.edu.
authors.forename: Philip
authors.initials: P
authors.lastname: Coppens
keywords: UV/Vis spectroscopy; band gap determination; iron; polyoxotitanate