title: Synthesis, DFT calculations, linear and nonlinear optical properties of binuclear phthalocyanine gallium chloride.
abstract: The axially substituted binuclear GaCl/GaCl phthalocyanine 1 with an unsymmetrical pattern of substitution has been prepared and its nonlinear optical (NLO) properties determined. The resulting binuclear complex retains approximately the same transition energies of monomeric (RO)8PcGaCl as far as the linear optical spectrum is concerned, although 1 has a double concentration of central atoms per molecule and an enlarged conjugated ligand. The lack of significant spectral shifts in passing from mononuclear to binuclear complexes has been rationalized theoretically by means of density functional theory calculations. The purpose of the present study is to determine whether binuclearity affects the optical limiting behavior of 1 with respect to monomeric (RO)8PcGaCl in the NLO regime determined by nanosecond laser pulses.
authors.affiliation: Institut für Organische Chemie, Universität Tübingen, Tübingen, Germany.
authors.forename: Mario J F
authors.initials: MJ
authors.lastname: Calvete
authors.forename: Danilo
authors.initials: D
authors.lastname: Dini
authors.forename: Michael
authors.initials: M
authors.lastname: Hanack
authors.forename: Juan Carlos
authors.initials: JC
authors.lastname: Sancho-García
authors.forename: Weizhe
authors.initials: W
authors.lastname: Chen
authors.forename: Wei
authors.initials: W
authors.lastname: Ji
mesh_terms: D007211:Indoles / Q000138:chemical synthesis* / Q000737:chemistry*; D008956:Models, Chemical; D008968:Molecular Conformation; D017711:Nonlinear Dynamics; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry*; D013057:Spectrum Analysis
chemical_list: D007211:Indoles; D009942:Organometallic Compounds; C515959:phthalocyanine gallium chloride