10.1021/om900291x.s003 Igor L. Fedushkin Igor L. Fedushkin Olga V. Eremenko Olga V. Eremenko Alexandra A. Skatova Alexandra A. Skatova Alexander V. Piskunov Alexander V. Piskunov Georgi K. Fukin Georgi K. Fukin Sergey Yu. Ketkov Sergey Yu. Ketkov Elisabeth Irran Elisabeth Irran Herbert Schumann Herbert Schumann Binuclear Zinc Complexes with Radical-Anionic Diimine Ligands American Chemical Society 2009 1 H NMR spectroscopy potassium hydride PhC Diimine ESR spectroscopy equimolar amounts complex DFT compounds 3 bi Binuclear Zinc Complexes dehydrogenation ZnI 2 diffraction LigandsThe diamagnetic 2009-07-13 00:00:00 Journal contribution https://acs.figshare.com/articles/journal_contribution/Binuclear_Zinc_Complexes_with_Radical_Anionic_Diimine_Ligands/2844316 The reactions of (dpp-BIAN)Zn−Zn(dpp-BIAN) (<b>1</b>) with PhCCH and of [(dpp-BIAN)Zn(μ-I)]<sub>2</sub> (<b>2</b>) with potassium hydride yield the binuclear complexes [(dpp-BIAN)Zn(μ-CCPh)]<sub>2</sub> (<b>3</b>) and [(dpp-BIAN)Zn(μ-H)]<sub>2</sub> (<b>4</b>), respectively (dpp-BIAN = 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene). Complex <b>3</b> is also obtained by thermal dehydrogenation of [dpp-BIAN(H)]Zn(CCPh) (<b>5</b>), which in turn can be prepared by reacting ZnI<sub>2</sub> with equimolar amounts of [dpp-BIAN(H)]Na and PhCCNa. The paramagnetic compounds <b>3</b> and <b>4</b> have been characterized by ESR spectroscopy; the diamagnetic complex <b>5</b>, by <sup>1</sup>H NMR spectroscopy. The molecular structures of <b>3</b> and <b>4</b> have been determined by single-crystal X-ray diffraction. The electronic structure of complex <b>4</b> has been examined by DFT.