Jahn–Teller effect in the ground and excited states of MnO2−4 doped into Cs2SO4

Abstract

Density functional calculations on the Jahn-Teller relaxation in the lowest excited 1E states of phthalocyanines and porphyrazines AIP Conf. Proc. 364, 211 (1996)

Electronic and phonon processes of MnO 4 – molecular impurities in alkali halide crystals

“…Therefore, we conclude that the splitting of the zero-phonon lines observed in alkali halide crystals is due to orbital splitting of the 2 T 2 state of manganese in the ligand field of four oxygen atoms. This interpretation is consistent with the theoretical results of [1].…”

“…The existense in the parent compound also the MnO 4 3-ions was shown from the study of its NIR-luminescece spectra. The coexistence of the MnO 4 2-and MnO 4 3-ions was also observed in BaS0 4 crystals [1] and should be considered as the effect of the high temperature preparation.…”

“…Now we turn to advisement of the splitting of the zero-phonon lines in the NIRL spectra, mentioned in Section 3.1. It has been calculated in [1] Fig. 1).…”

“…The inhomogeneous broadening of the vibronic bands was observed for MnO 4 2-doped crystals. The NIRL spectrum induced by the MnO 4 2-ions in different matrixes has been attributed to d-d ( 2 T 2 -2 E) ligand-field transition of 3d 1 MnO 4 2-ion [1][2][3][4]. The theoretical and experimental analysis of the luminescence intensity in the interval from 8 to 300 K shows up the different thermoactivation character of its temperature behavior for the MnO 4 -and MnO 4 2-doped hosts.…”

“…1 Introduction Interest in the study of MnO 4 -doped crystals as potential candidates for possible laser applications came from the first observation by Guedel et al [1,2] the NIR-luminescence spectra of MnO 4 2-in non-cubic crystals, such as BaSO 4, Cs 2 SO 4 . We have recently reported the NIRluminescence spectra in alkali-iodides doped with the MnO 4 -and MnO 4 2-ions that can be considered as model systems offering a high (O h ) site symmetry for the substitutional defect of T d symmetry [3,4].…”