| There has been extensive interest in the structure, property and use of phthalocyanineand its derivatives, and the search for new phthalocyanines is one of the fundamental studies.It is well known that the phthalocyanines are P-type semiconductor characterized by highthermal and chemical stability. They also exhibit interesting optical, electrical, magnetic andcatalytic properties, and are widely applied to many fields such as dyes, pigments, chemicalsensors, electrochromism, batteries and photodynamic therapy (PDT).In this paper we are supposed to synthesize the purified subtitutionalphthalocyaninatometal complex with good solubility, which is subtitutionalarylphthalocyanines (including phenyl-and diphyl-phthalocyanine). Based on the benzdnitrile method, through the nituation, substitute, we synthesize aryl phthalonitrile. ZnPc(H2O)was synthesized through anhydride method for the first time and characterized by SEM. Thecrystal was got by self-assenbly at room temperature and has been determined bysingle-crystal X-ray diffraction method. Moreover, the elemental analyses, FT-IR, UV-Visand Fluorescence spectra for this complex were also determined.The self-assenbly method is convenient and easily controlled. The crystal attained isgood for XRD measure. The compound crystallizes in the triclinic space group P-1. Thelattice parameters are a = 11.668(5) (A|°), b = 12.186(5) (A|°), c= 13.939(6) (A|°), α = 78.697(7)o, β =88.045 (7)°, γ = 62.949(7)°, V = 1727.4(12) (A|°)3 and Z = 2. The Zn(II) ion is five-coordinatedby four nitrogen atoms from Pc ligands and one oxygen atom from one water molecule. TheZn(II) atom orbitals in this coordination environment assume the sp2d2 hybridisation. Incomplex, strong intermolecular π···π stacking is present.One is formed between two Pcligands (labeled α, centroid-to-centroid distances: 3.48 (A|°)) and the other between two Pcligands (labeled β, centroid-to-centroid distances: 3.62 (A|°)). In contrast to ZnPc, ZnPcCl and(n-hexyl)ZnPc, it indicates that the axial water molecule has less influence on Pc ring than theaxial ligand Cl-ion and n-hexyl group. The UV-Visible spectrum in DMF indicates the Soretband at 331 nm and Q band at 669 nm, which are the typical bands characteristic of ZnPc. Incontrast with the corresponding bands of ZnPc (340nm and 670 nm), slightly blue shift occursin our compound. The blue shift of the 340 nm to 331 nm most probably resulted from theremaining water molecule. The emission spectra of compound in DMF with differentconcentrations 5.0×10-4M, 3.0×10-4M, 2.0×10-4M, 1.5×10-4M and 1×10-4M were recorded atroom temperature. the compound exhibits two strong emission peaks that were about at 699nm and at 743 nm (λex = 550 nm). Contrast to the emission wavelength (678 nm and 745 nm)of compound ZnPc, the bathochromic shift (21 nm) and the correspongding bule shift (2 nm)may be attributed to the presence of coordinated water molecules for the compound. TheFT-IR, UV-vis and fluorescence spectra results are in good agreement with the crystalstructure.
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