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Issue 14, 2017
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Application of the dimensional reduction formalism to Pb9−xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups

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Abstract

A series of phosphates, Pb9−xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7), have been synthesized by a high temperature solution method and the crystal structures were determined by single crystal X-ray diffraction. They are isostructural and crystallize in the triclinic space group P[1 with combining macron]. It is interesting that there are two kinds of isolated polyphosphate anionic groups coexisting in the crystal structure, which is rare among phosphates. Their structures exhibit zero-dimensional [Li2(P2O7)2(P4O13)2]18− anionic clusters constructed by the LiO4, P2O7 and P4O13 groups, which are separated by the Pb2+ or Ba2+ cations. The structure of Pb9[Li2(P2O7)2(P4O13)2] could be obtained using Li2O as a dimensional reduction agent to dismantle Pb3P4O13. In addition, the infrared spectra and the UV-Vis-NIR diffuse reflectance spectra, as well as thermal analyses are reported. The first-principles theoretical studies are also carried out to understand the relationship between their electronic structures and linear optical properties.

Graphical abstract: Application of the dimensional reduction formalism to Pb9−xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups

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Publication details

The article was received on 10 Feb 2017, accepted on 13 Mar 2017 and first published on 13 Mar 2017


Article type: Paper
DOI: 10.1039/C7DT00509A
Citation: Dalton Trans., 2017,46, 4678-4684
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    Application of the dimensional reduction formalism to Pb9−xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups

    X. Zhang, H. Wu, Q. Liu, X. Dong, Y. Chen, Z. Yang, X. Wen and S. Pan, Dalton Trans., 2017, 46, 4678
    DOI: 10.1039/C7DT00509A

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