1349709-92-7Relevant academic research and scientific papers
Pyridazine based scorpionate ligand in a copper boratrane compound
Nuss, Gernot,Saischek, Gerald,Harum, Bastian N.,Volpe, Manuel,Belaj, Ferdinand,Moesch-Zanetti, Nadia C.
, p. 12632 - 12640 (2011)
Reaction of potassium tris(mercapto-tert- butylpyridazinyl)borate K[TntBu] with copper(II) chloride in dichloromethane at room temperature led to the diamagnetic copper boratrane compound [Cu{B(PntBu)3}Cl] (Pn = pyridazine-3-thionyl) (1) under activation of the B-H bond and formation of a Cu-B dative bond. In contrast to this, stirring of the same ligand with copper(I) chloride in tetrahydrofuran (THF) gave the dimeric compound [Cu{TntBu}]2 (2) where one copper atom is coordinated by two sulfur atoms and one hydrogen atom of one ligand and one sulfur of the other ligand. Hereby, no activation of the B-H bond occurred but a 3-center-2-electron B-H·Cu bond is formed. The reaction of copper(II) chloride with K[TntBu] in water gave the same product 2, but a formal reduction of the metal center from Cu(II) to Cu(I) occurred. When adding tricyclohexyl phosphine to the reaction mixture of K[TnR] (R = tBu, Me) and copper(I) chloride in MeOH, the distorted tetrahedral Cu complexes [Cu{TnR}(PCy3)] (R = tBu 3, Me 4) were formed. Compound 4 is exhibiting an "inverted" ? 3-H, S, S, coordination mode. The copper boratrane 1 was further investigated by density functional theory (DFT) calculations for a better understanding of the M→B interaction involving the d8 electron configuration of Cu
