The synthesis, characterization, crystal structure, thermal stability, optical spectroscopic, electronic structure, and second-order nonlinear optical (NLO) properties of a novel class of materials, based on planar [N(4)]Ni(II) complexes, are reported. The single-crystal X-ray structure of the dichloro derivative indicates a planar structure of the molecule. The Ni(II) ion is tetracoordinated in a square planar environment, with the four nitrogen atoms as donors. The unsubstituted derivative exhibits efficiency 1.2 times that of urea in second-harmonic generation at 1.9 mum. INDO/SCI-SOS quantum-chemical calculations predict a sizeable molecular response and a significant octupolar contribution to optical nonlinearity. (C) 2003 Elsevier B.V. All rights reserved.
Synthesis, crystal structure, and second-order nonlinear optical properties of [N,N '-bis(1H-pyrrol-2-ylmethylene)-1,2-benzenediaminato]nickel(II) Schiff base complexes
DI BELLA, Santo;
2004-01-01
Abstract
The synthesis, characterization, crystal structure, thermal stability, optical spectroscopic, electronic structure, and second-order nonlinear optical (NLO) properties of a novel class of materials, based on planar [N(4)]Ni(II) complexes, are reported. The single-crystal X-ray structure of the dichloro derivative indicates a planar structure of the molecule. The Ni(II) ion is tetracoordinated in a square planar environment, with the four nitrogen atoms as donors. The unsubstituted derivative exhibits efficiency 1.2 times that of urea in second-harmonic generation at 1.9 mum. INDO/SCI-SOS quantum-chemical calculations predict a sizeable molecular response and a significant octupolar contribution to optical nonlinearity. (C) 2003 Elsevier B.V. All rights reserved.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
