Universität zu Köln

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:	Creators Email ORCID ORCID Put Code Fiolka, Christoph UNSPECIFIED UNSPECIFIED UNSPECIFIED Richter, Mark UNSPECIFIED UNSPECIFIED UNSPECIFIED Pantenburg, Ingo UNSPECIFIED UNSPECIFIED UNSPECIFIED Mudring, Anja-Verena UNSPECIFIED UNSPECIFIED UNSPECIFIED Meyer, Gerd UNSPECIFIED UNSPECIFIED UNSPECIFIED
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:	Keywords Language ZETA VALENCE QUALITY; BASIS-SETS; CRYSTAL-STRUCTURES; REFINEMENT; HALIDES; RADII Multiple languages Crystallography; Materials Science, Multidisciplinary Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/48477