Dipole-quadrupole and dipole-octopole polarizability of OsO4 from depolarized collision-induced light scattering experiments, ab initio and density functional theory calculations

The dipole-quadrupole and dipole-octopole polarizability of osmium tetroxide (OsO(4)) has been determined from collision-induced light-scattering experiments. Our final estimates for these properties are |A|=(84+/-5)e(2)a(3)(0)E(-1)(h) and |E|=(214+/-25)e(2)a(4)(0)E(-1)(h). We have also analyzed pre...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:The Journal of chemical physics 2004-12, Vol.121 (21), p.10411-10418
Hauptverfasser: Hohm, Uwe, Maroulis, G
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:The dipole-quadrupole and dipole-octopole polarizability of osmium tetroxide (OsO(4)) has been determined from collision-induced light-scattering experiments. Our final estimates for these properties are |A|=(84+/-5)e(2)a(3)(0)E(-1)(h) and |E|=(214+/-25)e(2)a(4)(0)E(-1)(h). We have also analyzed previous experimental data of the relative permittivity and refractivity of OsO(4) to propose the electronic part of the static dipole polarizability of alpha=51.0e(2)a(2)(0)E(-1)(h). To support our findings we have performed high-level ab initio and density functional theory calculations to obtain theoretical static estimates alpha=(50.2+/-1.6)e(2)a(2)(0)E(-1)(h), A=(84+/-10)e(2)a(3)(0)E(-1)(h), and E=(-252+/-32)e(2)a(4)(0)E(-1)(h), in essential agreement with the proposed experimental values.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1809607