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From Cs2Mo6Cl14 to Cs2Mo6Cl14·H2O and Vice Versa: Crystal Chemistry Investigations

Abstract : We report here the synthesis, the crystal structure and the luminescent properties of the new cluster compounds Cs2Mo6Cl14.H2O and Cs2Mo6Br14.H2O. Single-crystal X-ray diffraction performed on Cs2Mo6Cl14.H2O indicates that the compound crystallizes in the monoclinic space group C2/c with refined cell parameters a = 19.578 Å, b = 15.151 Å, c = 9.347 Å, and  = 115.64°. The structure can be described from discrete [Mo6Cl i 8Cl a 6] 2-anionic cluster units arranged in a "A-A'-A-A'" pseudo prismatic stacking parallel to (b,c) plane with both Cs + cations and water molecules located between the layers. The centric character of the trigonal structure of Cs2Mo6Cl14 was also studied by combination of single-crystal X-ray diffraction and both X-ray and neutron powder diffraction. The results suggest an important influence of the sample preparation on the symmetry of the crystal structure. The crystal structure relationship between the [Mo6Cl i 8Cl a 6] 2-anionic cluster unit arrangements in Cs2Mo6Cl14 and Cs2Mo6Cl14.H2O is discussed. Finally, the characterization of the luminescent properties of Cs2Mo6X14 and Cs2Mo6X14.H2O (X = Cl, Br) indicates that emission profile is comparable regardless existence of water molecule in the crystal structure.
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Submitted on : Tuesday, October 27, 2020 - 5:35:14 PM
Last modification on : Thursday, November 19, 2020 - 1:02:12 PM

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N. Saito, P. Lemoine, N. Dumait, M. Amela-Cortes, Serge Paofai, et al.. From Cs2Mo6Cl14 to Cs2Mo6Cl14·H2O and Vice Versa: Crystal Chemistry Investigations. Journal of Cluster Science, Springer Verlag, 2017, 28 (2), pp.773--798. ⟨10.1007/s10876-016-1133-5⟩. ⟨hal-01515141⟩

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