(B15c5)BiI3(I2): Molecular Benzo-15-Crown-5—BiI3 Complexes Bridged by Iodine Molecules to Chains

Author: Fiolka Christoph   Richter Mark   Pantenburg Ingo   Mudring Anja-Verena   Meyer Gerd  

Publisher: MDPI

E-ISSN: 2073-4352|1|4|220-228

ISSN: 2073-4352

Source: Crystals, Vol.1, Iss.4, 2011-10, pp. : 220-228

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Abstract

The reaction of bismuth triiodide with iodine and benzo-15-crown-5 in ethanol/dichloromethane yielded red single crystals of (b15c5)BiI3(I2) (monoclinic, P21/c (no. 14), a = 1376.9(1), b = 1172.7(1), c = 1700.2(2) pm, β = 115.197(6), V = 2484.1(4)·106 pm3, Z = 4). Neutral pseudo-octahedral complexes (b15c5)BiI3 are connected by secondary bonding interactions via iodine molecules to chains. Electronic structure calculations of the neutral complex (b15c5)BiI3 reveal that the compound can indeed be described as b15c5 interacting with a molecular BiI3 unit. However, bonding has to be mainly electrostatic as the interactions of the bismuth 6s lone pair with the 2p orbitals of the oxygen atoms of the crown ether are clearly antibonding.

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