Fiolka, Christoph, Richter, Mark, Pantenburg, Ingo, Mudring, Anja-Verena and Meyer, Gerd (2011). (B15c5) BiI3(I-2): Molecular Benzo-15-Crown-5-BiI3 Complexes Bridged by Iodine Molecules to Chains. Crystals, 1 (4). S. 220 - 229. BASEL: MDPI. ISSN 2073-4352

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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(I-2) (monoclinic, P2(1)/c (no. 14), a = 1376.9(1), b = 1172.7(1), c = 1700.2(2) pm, beta = 115.197(6), V = 2484.1(4).10(6) pm(3), 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.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
Fiolka, ChristophUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Richter, MarkUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Pantenburg, IngoUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Mudring, Anja-VerenaUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Meyer, GerdUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
URN: urn:nbn:de:hbz:38-484773
DOI: 10.3390/cryst1040220
Journal or Publication Title: Crystals
Volume: 1
Number: 4
Page Range: S. 220 - 229
Date: 2011
Publisher: MDPI
Place of Publication: BASEL
ISSN: 2073-4352
Language: English
Faculty: Unspecified
Divisions: Unspecified
Subjects: no entry
Uncontrolled Keywords:
KeywordsLanguage
ZETA VALENCE QUALITY; BASIS-SETS; CRYSTAL-STRUCTURES; REFINEMENT; HALIDES; RADIIMultiple languages
Crystallography; Materials Science, MultidisciplinaryMultiple languages
URI: http://kups.ub.uni-koeln.de/id/eprint/48477

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