A Novel Family of Polyiodo-Bromoantimonate(III) Complexes: Cation-Driven Self-Assembly of Photoconductive Metal-Polyhalide Frameworks

Sergey A Adonin; Liubov I Udalova; Pavel A Abramov; Alexander S Novikov; Irina V Yushina; Ilya V Korolkov; Evgeniy Y Semitut; Tatiyana A Derzhavskaya; Keith J Stevenson; Pavel A Troshin; Maxim N Sokolov; Vladimir P Fedin

doi:10.1002/chem.201802100

A Novel Family of Polyiodo-Bromoantimonate(III) Complexes: Cation-Driven Self-Assembly of Photoconductive Metal-Polyhalide Frameworks

Chemistry. 2018 Oct 1;24(55):14707-14711. doi: 10.1002/chem.201802100. Epub 2018 Sep 6.

Authors

Sergey A Adonin^{1

2}, Liubov I Udalova^{1

2}, Pavel A Abramov^{1

2}, Alexander S Novikov³, Irina V Yushina¹, Ilya V Korolkov^{1

2}, Evgeniy Y Semitut¹, Tatiyana A Derzhavskaya⁴, Keith J Stevenson⁵, Pavel A Troshin^{4

5}, Maxim N Sokolov^{1

2}, Vladimir P Fedin^{1

2}

Affiliations

¹ Nikolaev Institute of Inorganic Chemistry SB RAS, Lavrentieva St. 3, 630090, Novosibirsk, Russia.
² Novosibirsk State University, Pirogova St. 2, 630090, Novosibirsk, Russia.
³ Institute of Chemistry, Saint Petersburg State University, Universitetskaya Nab. 7-9, 199034, Saint Petersburg, Russia.
⁴ Institute for Problems of Chemical Physics RAS, Semenov ave. 1, 142432, Chernogolovka, Russia.
⁵ Skolkovo Institute of Science and Technology, Nobelya St. 3, 121205, Moscow, Russia.

PMID: 30020549
DOI: 10.1002/chem.201802100

Abstract

In the presence of different cations, reactions of [SbBr₆ ]^3- and I₂ result in a new family of diverse supramolecular 1D polyiodide-bromoantimonate networks. The coordination number of Sb, as well as geometry of assembling {I_x }^n- polyhalide units, can vary, resulting in unprecedented structural types. The nature of I⋅⋅⋅Br interactions was studied by DFT calculations; estimated energy values are 1.6-6.9 kcal mol^-1 . Some of the compounds showed strong photoconductivity in thin films, suggesting multiple feasible applications in optoelectronics and solar energy conversion.

Keywords: DFT calculations; antimony; halometalate; photoconductivity; polyhalide.

Abstract

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