Tailoring Heterometallic Cluster Functional Building Blocks: Synthesis, Separation, Structural and DFT Studies of [Re6-x Mox Se8 (CN)6 ]n

Viktoria K Muravieva; Yakov M Gayfulin; Carmelo Prestipino; Pierric Lemoine; Maxim R Ryzhikov; Vadim V Yanshole; Stéphane Cordier; Nikolay G Naumov

doi:10.1002/chem.201903321

Tailoring Heterometallic Cluster Functional Building Blocks: Synthesis, Separation, Structural and DFT Studies of [Re_6-x Mo_x Se₈ (CN)₆ ]ⁿ

Chemistry. 2019 Nov 27;25(66):15040-15045. doi: 10.1002/chem.201903321. Epub 2019 Oct 24.

Authors

Viktoria K Muravieva^{1

2}, Yakov M Gayfulin¹, Carmelo Prestipino², Pierric Lemoine², Maxim R Ryzhikov^{1

3}, Vadim V Yanshole^{3

4}, Stéphane Cordier², Nikolay G Naumov^{1

3}

Affiliations

¹ Nikolaev Institute of Inorganic Chemistry SB RAS, 3, Acad. Lavrentiev ave., 630090, Novosibirsk, Russia.
² Univ Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes), UMR 6226, 35000, Rennes, France.
³ Novosibirsk State University, 2, Pirogova str., Novosibirsk, 630090, Russia.
⁴ International Tomography Center SB RAS, 3A, Institutskaya str., Novosibirsk, 630090, Russia.

PMID: 31468567
DOI: 10.1002/chem.201903321

Abstract

Influence of the metal core composition and geometry on the structure, spectroscopic properties and redox potentials was investigated for the first time for heterometallic (Re/Mo)₆ octahedral clusters. The discrete anionic clusters [Re_6-x Mo_x Se₈ (CN)₆ ]^n- (x=2, 3; n=4, 5) were obtained as individual salts. Their isomeric composition and bond-length distribution were inspected using a combination of single-crystal X-ray structure analysis, NMR, EXAFS, and DFT calculations.

Keywords: EXAFS; cluster compounds; electronic structure; heterometallic complexes; structure.

Grants and funding

Ministry of Science and Higher Education of the Russian Federation