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001040669 1001_ $$0P:(DE-Juel1)208590$$aCorkett, Alexander$$b0$$ufzj
001040669 1112_ $$a(Digital) Institute Seminar JCNS-2$$cForschungszentrum Jülich, JCNS + online$$wGermany
001040669 245__ $$aTransition-metal carbodiimides$$f2025-03-20 - 
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001040669 520__ $$aTransition-metal carbodiimides, with the general formula Mx(NCN)y, are gaining renewed interest due to their excellent electrochemical and photocatalytic properties.[1-2] These quasi-binary compounds can be seen as nitrogen-containing versions of MxOy oxides generated by the isovalent replacement of O2− by the extended carbodiimide −N=C=N− or cyanamide N≡C−N2− dianions. Indeed, their crystal structures show similarities to oxides, with a clear propensity for close-packed anionic arrangements. However, the lower electronegativity of NCN compared to O, along with a greater degree of charge delocalization, results in phases with enhanced covalent character and reduced band gaps.A natural development, therefore, is to expand the range of transition-metal carbodiimides to include ternary and higher-order compounds, which may lead to new or improved properties. In this talk, I will discuss the synthesis of the first non-binary transition-metal carbodiimides, analyse their crystal structures, with the support of DFT calculations, and investigate their diverse physicochemical properties and potential applications. [3-5]References[1] M. T. Sougrati, A. Darwiche, X. Liu, A. Mahmoud, R. P. Hermann, S. Jouen, L. Monconduit, R. Dronskowski,* L. Stievano,* Angew. Chem. Int. Ed., 2016, 55, 5090[2] A. J. Corkett, O. Reckeweg, R. Pöttgen, R. Dronskowski*, Chem. Mater., 2024, 36, 9107–9125.[3] A. J. Corkett,* R. Dronskowski, Dalton Trans., 2019, 48, 150[4] A. J. Corkett,* Z. Chen, C. Ertural, A. Slabon, R. Dronskowski*, Inorg. Chem., 2022, 61, 18221–18228[5] H. Bourakhouadar, J. Hempelmann, J. van Leusen, A. Drichel, L. Bayarjargal, A. Koldemir, M. K. Reimann, R. Pöttgen, A. Slabon, A. J. Corkett*, R. Dronskowski*, J. Am. Chem. Soc., 2024, 146 (38), 26071–26080
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