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

Crystals

Christoph Fiolka¹  Mark Richter²  Ingo Pantenburg¹  Anja-Verena Mudring² 

[1] Department für Chemie, Universität zu Köln, Greinstraße 6, D-50939 Köln, Germany;Fakultät für Chemie, Ruhr-Universität Bochum, D-44780 Bochum, Germany; E-Mail:

关键词: bismuth;    iodine;    crown ether;    crystal structure;    chemical bonding;   

DOI  :  10.3390/cryst1040220

来源: mdpi

【 摘 要 】

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.

【 授权许可】

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