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Synthesis and Structures of Polyhedral Hexa‐ and Octagallium Cluster Compounds
Author(s) -
Gast Michael,
Ejlli Barbara,
Wadepohl Hubert,
Linti Gerald
Publication year - 2019
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.201900474
Subject(s) - chemistry , disproportionation , gallium , cluster (spacecraft) , crystallography , octahedron , hexa , lithium (medication) , crystal structure , ion , organic chemistry , medicine , computer science , programming language , endocrinology , catalysis
The novel polyhedral closo ‐Ga 6 and Ga 8 cluster ions [Ga 6 (R 5 ) 6 ] 2– and [Ga 8 I 4 (R 5 ) 4 ] 2– have been prepared as their lithium salts from reaction of the corresponding lithium silanide with a gallium subtriflate and “GaI”, respectively, together with the expected disproportionation products. All new compounds have been structurally characterized by single crystal X ray crystallography. The hexagallium cluster has a regular octahedral core, which is expected for a seven‐SEP cluster. The unexpected disphenoidal structure for the octagallium nine‐SEP cluster was compared to the square antiprismatic isomer by means of DFT calculations. In addition DFT calculations with dispersion correction on digallanes(4) R 4 Ga 2 allow a new look on bonding in this gallium–gallium bonded compounds.