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Synthesis, Structure and Electronic Properties of Three Tin Oxide Halides
Author(s) -
Löber Manuel,
Geißenhöner Chris Steve,
Ströbele Markus,
Romao Carl P.,
Meyer HansJürgen
Publication year - 2021
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.202000874
Subject(s) - chemistry , tin , halide , crystal structure , crystallography , cubane , electronic structure , oxide , tin oxide , inorganic chemistry , computational chemistry , organic chemistry
Three tin oxide halides, Sn 7 O 4 Cl 6 , Sn 7 O 4 Br 6 , and Sn 4 OI 6 , were synthesized by solid‐state reactions of SnO and SnX 2 (X=Cl, Br, I) at 300 °C. Crystal structures were solved and refined from single crystal X‐ray diffraction data, revealing the presence of cubane‐like [Sn 4 O 4 ] units in the structures of Sn 7 O 4 Cl 6 and Sn 7 O 4 Br 6 . The electronic structure of Sn 7 O 4 Cl 6 was analyzed by DFT band structure calculations and the electron localization function (ELF).