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[(DPEPhos)(bcp)Cu]PF6: A General and Broadly Applicable Copper-Based Photoredox Catalyst
Published on: May 21, 2019
Bis[μ-bis-(diphenyl-phosphan-yl)methane-κ(2) P:P'](μ-1-ethyl-thio-urea-κ(2) S:S)bis-[iodidocopper(I)] acetonitrile
Ruthairat Nimthong1, Yupa Wattanakanjana, Chaveng Pakawatchai
1Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112, Thailand.
Abstract:
In the dinuclear title compound, [Cu2I2(C3H8N2S)(C25H22P2)2]·1.5CH3CN, each Cu(I) atom exhibits a distorted tetra-hedral coordination with two P atoms from two bis-(diphenyl-phosphan-yl)methane (dppm) ligands, one metal-bridging S atom from the 1-ethyl-thio-urea (ettu) ligand and one iodide ion. The dppm ligand and the bridging S atom of the ettu ligand force the two copper atoms into close proximity, leading to the formation of a close intra-molecular Cu⋯Cu contact [3.3747 (17) Å]. The conformation of the dimeric complex is such that the two dppm ligands are located on one side of the dinuclear metal complex, while the two iodine atoms are pointed towards the other side of the complex, a conformation that is stabilized by two intra-molecular N-H⋯I hydrogen bonds between the ettu NH2 and NHEt moieties and the I atoms. Another pair of symmetry-equivalent N-H⋯I hydrogen bonds is established between neighboring mol-ecules across an inversion center, linking mol-ecules into dimers. The dimers are connected with each other and with the inter-stitial acetonitrile solvent mol-ecules via a range of weaker C-H⋯I and C-H⋯S inter-actions and through weak C-H⋯π inter-actions, leading to the formation of a three-dimensional network. One of the acetonitrile solvent mol-ecules is disordered in a 1:1 ratio across a crystallographic inversion center.

