作者: Axel Klein , Thilo Schurr , Stanislav Záliš
关键词: Organoplatinum 、 Chemistry 、 Stereochemistry 、 Ligand 、 Ground state 、 Single crystal 、 Crystallography 、 Platinum 、 Crystal structure
摘要: Organoplatinum complexes (Pt(R)2(iPr-DAB)), (PtCl(R)(iPr-DAB)) or (PtCl2(iPr-DAB)) (R methyl 2,4,6-tri- methylphenyl mesityl, iPr-DAB N,N-diisopropyl-1,4-diazabu- tadiene) have been investigated by a combination of multiple spec- troscopy (NMR, UV/VIS), single crystal XRD and quantum che- mical calculations. Excellent agreement calculated experi- mental structural data from NMR provide good basis for the mechanical DFT calculations reveal contributions DAB ligand co-ligands to elec- tronic ground state. Methyl acts more less purely as σ-donor,