One- and two-photon spectra of NaF:Cu+: Jahn–Teller and vibronic coupling effects

15 March 1983

journal article
conference paper
Published by AIP Publishing in The Journal of Chemical Physics

Vol. 78 (6) , 3688-3697
https://doi.org/10.1063/1.445143

Abstract

Notwithstanding the fact that CuF does not exist, the dilute solid solution NaF:CuF is stable. One‐ and two‐photon spectra of the cubic single crystals were obtained for the near ultraviolet 3d¹⁰→3d⁹4s transitions of Cu⁺ over a range of temperatures from 2 to 300 K. The two‐photon polarized spectra allowed the separation of the ¹E_g from the ¹T_2g spectra, and revealed the double humped band characteristic of the Jahn–Teller effect. Zero phonon lines were observed in the two‐photon spectra, and a progression in a low frequency t_1u mode was observed with even quanta in the two‐photon, odd quanta in the one‐photon spectra. From the fine structure and from the temperature dependence of the broadbands, information about the potential function of the Cu⁺ in NaF was derived for a_1g, e_g, and t_1u coordinates. The Cu⁺ is on center in the ground and excited states. The value of E_JT is 2250 cm⁻¹ and 10 Dq is 1800 cm⁻¹ for the d⁹s configuration.

Keywords

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