TY - GEN A1 - Benndorf, Christopher A1 - Hohmann, Andrea A1 - Schmidt, Peer A1 - Eckert, Hellmut A1 - Johrendt, Dirk A1 - Schäfer, Konrad A1 - Pöttgen, Rainer T1 - 2D 31P Solid state NMR spectroscopy, electronic structure and thermochemistry of PbP7 T2 - Journal of Solid State Chemistry N2 - Phase pure polycrystalline PbP7 was prepared from the elements via a lead flux. Crystalline pieces with edge-lengths up to 1 mm were obtained. The assignment of the previously published 31P solid state NMR spectrum to the seven distinct crystallographic sites was accomplished by radio-frequency driven dipolar recoupling (RFDR) experiments. As commonly found in other solid polyphosphides there is no obvious correlation between the 31P chemical shift and structural parameters. PbP7 decomposes incongruently under release of phosphorus forming liquid lead as remainder. The thermal decomposition starts at T>550 K with a vapor pressure almost similar to that of red phosphorus. Electronic structure calculations reveal PbP7 as a semiconductor according to the Zintl description and clearly shows the stereo-active Pb-6s2 lone pairs in the electron localization function ELF. KW - Polyphosphide KW - Solid state NMR spectroscopy KW - Thermochemistry Y1 - 2016 UR - http://www.sciencedirect.com/science/article/pii/S0022459615302942 U6 - https://doi.org/10.1016/j.jssc.2015.12.028 VL - 235 SP - 139 EP - 144 ER -