Sr2P7X(X= Cl, Br, and I): Synthesis, Crystal and Electronic Structures of Double Zintl Salts Containing Heptaphosphanortricyclane, P73

Autor: Kathleen Lee, Juli-Anna Dolyniuk, Kirill Kovnir, Nhon Tran
Rok vydání: 2015
Předmět:
Zdroj: Zeitschrift für anorganische und allgemeine Chemie. 641:1422-1427
ISSN: 0044-2313
Popis: Three new strontium phosphide-halides, Sr2P7X (X = Cl, Br, and I) were synthesized and structurally characterized by single-crystal X-ray diffraction. In the crystal structure of all three compounds, strontium cations and halogen anions are present together with heptaphosphanortricyclane, P73–, clusters. Sr2P7Br and Sr2P7I are isostructural and crystallize in a new structure type in the chiral cubic space group P213 (No. 198). Sr2P7Cl crystallizes in a new structure type in the centrosymmetric monoclinic space group C2/c (No. 15). According to the Zintl concept, quantum-mechanical calculations, and UV/Vis spectroscopy, Sr2P7X compounds are all electron-balanced wide-bandgap semiconductors. The bonding in the P73– clusters was analyzed by means of electron localization function.
Databáze: OpenAIRE