title: X-ray diffraction and IR spectral characteristics of zinc(II)tetra-tert-butylphthalocyanine.
abstract: According to well-known procedures, alpha- and beta-crystal polymorphic modifications of zinc(II)tetra-tert-butylphthalocianine (Zn(t-Bu)4Pc) were prepared and X-ray analysis of their powders was carried out. It was found that four tert-butyl groups in Zn(t-Bu)4Pc molecule do not prevent the formation of the alpha- and beta-polymorphs. The alpha- and beta-polymorphs differ from each other mainly by a mutual arrangement of neighboring metallophthalocyenine molecules in pi-stacking. Comparison of IR spectra of the alpha- and beta-polymorphs of ZnPc and Zn(t-Bu)4Pc was carried out. It was indicated that new bands appear at 670-690, 1256 and 1362 cm(-1) in the spectrum of Zn(t-Bu)4Pc in comparison with that of ZnPc. The appearance of new band at 1256 cm(-1) is assigned to rocking C-CH(3) vibrations and the band at 1362 cm(-1) to symmetrical deformational C-H vibrations of methyl groups of the peripheral substitutes. The main spectral characteristics for identification of the polymorphic modifications of Zn(t-Bu)4Pc are listed.
authors.affiliation: Institute of Solution Chemistry Russian Academy of Sciences, 153045, Akademicheska Street, 1, Ivanovo, Russia. nsl@isc-ras.ru
authors.forename: Nataliya Sh
authors.initials: NSh
authors.lastname: Lebedeva
authors.forename: Elena V
authors.initials: EV
authors.lastname: Parfenyuk
authors.forename: Elena A
authors.initials: EA
authors.lastname: Malkova
mesh_terms: D008958:Models, Molecular; D009942:Organometallic Compounds / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D014961:X-Ray Diffraction / Q000379:methods*
chemical_list: D009942:Organometallic Compounds; C526643:zinc(II)tetra-tert-butylphthalocyanine