Crystal structure and DFT calculations of Cp2NbH(SiIMe2)(SiFMe2): an asymmetric bis(silyl) niobocene hydride complex

We present here the structure and DFT calculations of Cp2NbH(SiIMe2)(SiFMe2), showing that the position of the hydride is located between the two silyl ligands. The results from our investigation show that the hydride is closer to the silyl ligand that is substituted by fluorine.

Source: Acta Crystallographica Section C - March 22, 2023 Category: Chemistry Authors: Rodriguez, S.M. Motta, Y.N. Hill, M.R. Oelke, L.M. Carter, C.C. Cundari, T.R. Yousufuddin, M. Tags: niobium niobocene hydride silyl crystal structure hypervalent density functional theory DFT metal hydride complex research papers Source Type: research