title: Raman spectra of titanium dioxide (anatase, rutile) with identified oxygen isotopes (16, 17, 18).
abstract: Six representative isotope-labeled samples of titanium dioxide were synthesized: Ti(16)O(2), Ti(17)O(2) and Ti(18)O(2), each in anatase and rutile forms. Their Raman scattering was analyzed at temperatures down to 5 K. Spectral assignment was supported by numerical simulation using DFT calculations. The combination of experimental and theoretical Raman frequencies with the corresponding isotopic shifts allowed us to address various still-open questions about the second-order Raman scattering in rutile, and the analysis of overlapping features in the anatase spectrum.
authors.affiliation: J. Heyrovský Institute of Physical Chemistry, vvi Academy of Sciences of the Czech Republic, Prague 8, Czech Republic.
authors.forename: Otakar
authors.initials: O
authors.lastname: Frank
authors.forename: Marketa
authors.initials: M
authors.lastname: Zukalova
authors.forename: Barbora
authors.initials: B
authors.lastname: Laskova
authors.forename: Jenö
authors.initials: J
authors.lastname: Kürti
authors.forename: János
authors.initials: J
authors.lastname: Koltai
authors.forename: Ladislav
authors.initials: L
authors.lastname: Kavan
mesh_terms: D010103:Oxygen Isotopes / Q000737:chemistry; D011789:Quantum Theory; D013059:Spectrum Analysis, Raman; D013696:Temperature; D014025:Titanium / Q000737:chemistry*
chemical_list: D010103:Oxygen Isotopes; C009495:titanium dioxide; D014025:Titanium