Chiral Dodecanuclear Palladium(II) Thio Cluster: Synthesis, Structure, and Formation Mechanism Explored by ESI-MS and DFT Calculations

Zheng-Guo Lin; Lin-Yuan Fan; Aleksandar Kondinski; Nina Vankova; Thomas Heine; Bao-Kuan Chen; Ali Haider; Bo Wang; Ulrich Kortz; Chang-Wen Hu

doi:10.1021/acs.inorgchem.6b01005

Chiral Dodecanuclear Palladium(II) Thio Cluster: Synthesis, Structure, and Formation Mechanism Explored by ESI-MS and DFT Calculations

Inorg Chem. 2016 Aug 15;55(16):7811-3. doi: 10.1021/acs.inorgchem.6b01005. Epub 2016 Jul 25.

Authors

Affiliations

¹ Key Laboratory of Cluster Science, Ministry of Education of China, School of Chemistry, Beijing Institute of Technology , 100081 Beijing, P. R China.
² Department of Life Sciences and Chemistry, Jacobs University , Campus Ring 1, 28759 Bremen, Germany.
³ Department of Physics and Earth Sciences, Jacobs University , Campus Ring 1, 28759 Bremen, Germany.

PMID: 27454534
DOI: 10.1021/acs.inorgchem.6b01005

Abstract

The chiral dodecanuclear palladium(II) thio cluster LaPd12(C3H5NO2S)3(C3H6NO2S)21 (1) was prepared by reacting l-cysteine (l-Cys) with PdCl2 and La2O3 in aqueous solution under carefully controlled conditions. Compound 1 was structurally characterized by single-crystal XRD, TGA, IR, UV-vis, (13)C NMR, and CD spectroscopy. Insight into the dimerization process of 1 was obtained by ESI-MS and DFT calculations.