Massive Stokes shift in 12-coordinate Ce(NO2)₆^3-: crystal structure, vibrational and electronic spectra.

ABSTRACT: The Ce³⁺ ion in Cs₂NaCe(NO₂)₆ (I), which comprises the unusual T_h site symmetry of the Ce(NO₂)₆^3- ion, demonstrates the largest Ce-O Stokes shift of 8715 cm^-1 and the low emission quenching temperature of 53 K. The activation energy for quenching changes with temperature, attributed to relative shifts of the two potential energy curves involved. The splitting of the Ce³⁺ 5d¹ state into two levels separated by 4925 cm^-1 is accounted for by a first principles calculation using the crystal structure data of I. The NO₂^- energy levels and spectra were investigated also in Cs₂NaLa(NO₂)₆ and modelled by hybrid DF

SUBMITTER: Luo Y 

PROVIDER: S-EPMC6224556 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature