Author(s):
Dias, Alberto R. 
; Garcia, M.Helena ; Mendes, Paulo ; Piedade, M.Fátima M. ; Duarte, M.Teresa ; Calhorda, Maria J. ; Mealli, Carlo ; Wenseleers, W. ; Gerbrandij, A.W. ; Goovaerts, Etienne
Date: 1998
Persistent ID: http://hdl.handle.net/10174/8943
Origin: Repositório Científico da Universidade de Évora
Description
A new family of organometallic Ni II benzonitrile derivatives bearing strong donor substituents of general formula Ni -
C H P C H NCC H R PF R NH , N CH , C H , OCH , H, F has been synthesized. A structural study by X-ray 5 5 6 5 3 6 4 6 2 3 2 6 5 3
diffraction of the compound with R NH showed crystallization on the centrosymmetric monoclinic space group, P2 n, with a quasi 2 1
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 Hu¨ckel method found a small amount of delocalization due to the cancelling effects on the interaction of the metal fragment
orbitals with and nitrile orbitals.
