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Sr 2 P 7 X ( X = Cl, Br, and I): Synthesis, Crystal and Electronic Structures of Double Zintl Salts Containing Heptaphosphanortricyclane, P 7 3–
Author(s) -
Dolyniuk JuliAnna,
Tran Nhon,
Lee Kathleen,
Kovnir Kirill
Publication year - 2015
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201500140
Subject(s) - isostructural , crystallography , monoclinic crystal system , chemistry , crystal structure , phosphide , halogen , zintl phase , strontium , electron localization function , halide , space group , single crystal , x ray crystallography , inorganic chemistry , diffraction , electron , metal , physics , alkyl , organic chemistry , optics , quantum mechanics
Three new strontium phosphide‐halides, Sr 2 P 7 X ( 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, P 7 3– , clusters. Sr 2 P 7 Br and Sr 2 P 7 I are isostructural and crystallize in a new structure type in the chiral cubic space group P 2 1 3 (No. 198). Sr 2 P 7 Cl crystallizes in a new structure type in the centrosymmetric monoclinic space group C 2/ c (No. 15). According to the Zintl concept, quantum‐mechanical calculations, and UV/Vis spectroscopy, Sr 2 P 7 X compounds are all electron‐balanced wide‐bandgap semiconductors. The bonding in the P 7 3– clusters was analyzed by means of electron localization function.
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