205984-90-3Relevant academic research and scientific papers
Organometallic nickel(II) complexes with substituted benzonitrile ligands. Synthesis, electrochemical studies and non-linear optical properties. The X-ray crystal structure of [Ni(η5-C5H5){P(C6H 5)3}(NCC6H4NH2)][PF 6]
Dias, Alberto R.,Garcia, M. Helena,Mendes, Paulo,Piedade, M. Fatima M.,Duarte, M. Teresa,Calhorda, Maria J.,Mealli, Carlo,Wenseleers,Gerbrandij,Goovaerts, Etienne
, p. 115 - 128 (1998)
A new family of organometallic Ni(II) benzonitrile derivatives bearing strong donor substituents of general formula [Ni(η5-C5H5){P(C6H 5)3}NCC6H4R][PF6] (R=NH2, N(CH3)2, C6H5, OCH3, H, F) has been synthesized. A structural study by X-ray diffraction of the compound with R=NH2 showed crystallization on the centrosymmetric monoclinic space group, P21/n, with a quasi planar structure of the coordinated nitrile. First and second hyperpolarizabilities evaluated by hyper-Rayleigh scattering and Maker fringe techniques showed essentially the same values for the complexes and the uncoordinated chromophores. Theoretical studies by the extended Hueckel method found a small amount of π delocalization due to the cancelling effects on the interaction of the metal fragment orbitals with π and π* nitrile orbitals.
