An Unprecedented Cluster Unit in (BMIm)2[Hf9Cl14H8(AlCl4)6]

نویسندگان

چکیده

The reduction of HfCl4 with Li[AlH4] under ionothermal conditions using (BMIm)[AlCl4] as solvent and reactant gives the compound (BMIm)2[Hf9Cl14H8(AlCl4)6] in moderate yield. It contains nona-nuclear metalloid cluster units an unprecedented arrangement metal atoms. This can be described by a polyhedron consisting two trigonal bipyramids, which are fused one basal Hf atom. edges Hf9 bridged Cl atoms apical sites Cl-bonded to [AlCl4]− anions. These bridge into 1D strands. atom constructed step-wise distortion body centred cube. DFT calculations on [Hf9Cl14H(8-x)(AlCl4)6]2− for different numbers hydrogen (x=8–0) at UPBE-D3/def2-TZVP level theory indicate significant metal-metal bonding. supported strongly presence hydridic H bridging triangular faces skeleton. most stable anion is calculated eight present unit.

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ژورنال

عنوان ژورنال: European Journal of Inorganic Chemistry

سال: 2021

ISSN: ['1434-1948', '1099-0682']

DOI: https://doi.org/10.1002/ejic.202100191