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Article
Crystal Structure and Computational Analysis of a Two- dimensional Coordination Polymer, BiI 3 (DppeO 2 ) 3/2
JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS
  • Andrew W Kelly, College of William and Mary
  • Amelia M Wheaton, College of William and Mary
  • Aaron Nicholas, University of Maine
  • Howard H Patterson, University of Maine
  • Robert D Pike, College of William and Mary
Document Type
Article
Publication Date
2-9-2018
Disciplines
Abstract

Catena-poly[fac-triiodobismuth(III)-tris-(A mu-ethane-1,2-diylbis(diphenylphosphane oxide-kappa O-2,O'))], a 2-D sheet network of BiI3 was synthesized from BiI3 and ethane-1,2-diylbis(diphenylphosphane oxide) (DppeO(2)) in tetrahydrofuran. The crystal structure revealed a trigonal structure with three-fold symmetry at Bi. Bismuth centers show fac-BiI3O3 coordination, with Bi-I = 2.9416(2) and Bi-O = 2.4583(17) . The I-Bi-I and O-Bi-O angles (95.520(7)A degrees and 79.04(6)A degrees, respectively) indicate trigonal distortion in the Bi octahedron. Bridging DppeO(2) ligands centered on inversion centers give rise to a 2-D sheet polymer. The 8.3 thick sheets consist of three layers in a sandwich structure. The outer layers are composed of phenyl rings and BiI3 groups with the iodide atoms pointing outward. The central layer consists of the O=PCH2CH2P=O bridging groups. Computational results suggest that semi-conducting behavior arises from Bi(III) centers. A halide to DppeO(2) pi* transition is suggested by theoretical results.

DOI
10.1007/s10904-018-0806-y
Comments

This is a post-peer-review, pre-copyedit version of an article published in Journal of Inorganic and Organometallic Polymers and Materials. The final authenticated version is available online at: 10.1007/s10904-018-0806-y.

Journal Article URL
https://link.springer.com/article/10.1007%2Fs10904-018-0806-y
Publisher Statement

This is a post-peer-review, pre-copyedit version of an article published in Journal of Inorganic and Organometallic Polymers and Materials. The final authenticated version is available online at: 10.1007/s10904-018-0806-y.

Citation Information
Andrew W Kelly, Amelia M Wheaton, Aaron Nicholas, Howard H Patterson, et al.. "Crystal Structure and Computational Analysis of a Two- dimensional Coordination Polymer, BiI 3 (DppeO 2 ) 3/2" JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS Vol. 28 Iss. 2 (2018) p. 528 - 534
Available at: http://works.bepress.com/robert-pike/145/