Synthesis and Structural Characterization of Integrally Oxidized, Metal-Free Phthalocyanine Compounds: [H2(pc)][IBr2] and [H2(pc)]2[IBr2]Br·C10H7Br

Autor:	Brian M. Hoffman, Anna S. Gardberg, Syaulan Yang, James A. Ibers
Rok vydání:	2002
Předmět:	Inorganic Chemistry Diffraction Integrally closed Crystallography chemistry.chemical_compound Metal free Chemistry Phthalocyanine Physical and Theoretical Chemistry Characterization (materials science) Ion
Zdroj:	Inorganic Chemistry. 41:1778-1781
ISSN:	1520-510X 0020-1669
Popis:	The first integrally oxidized metal-free phthalocyanine compounds have been synthesized by chemical oxidation. Phthalocyanine (H2(pc), pc = phthalocyaninato) was oxidized with IBr to afford the compounds [H2(pc)][IBr2] (1) and [H2(pc)]2[IBr2]BrAC10H7Br (2), whose structures were determined by means of single-crystal X-ray diffraction methods: [H2(pc)][IBr2], P21/c, a = 8.0272(9) A, b = 21.258(2) A, c = 18.1439(2) A, β = 113.975(2)°, V = 2828.8(5) A3, T = 153 K, Z = 4; [H2(pc)]2[IBr2]Br·C10H7Br, P1, a = 8.4724(6) A, b = 13.5794(10) A, c = 13.8403(10) A, α = 90.854(1)°, β = 103.417(1)°, γ = 97.049(1)E°, V = 1535.61(19) A3, T = 153 K, Z = 1. The extended structure of [H2(pc)][IBr2] comprises slipped columns of pc rings stacked along the a axis in adjacent columns at ∼70° to one another. IBr2- ions occupy the interstitial columns. The extended structure of [H2(pc)]2[IBr2]Br·C10H7Br comprises slant stacks of pc rings along the crystallographic a axis with IBr2- ions, Br- ions, and disordered 1-bromonaphthale...
Databáze:	OpenAIRE
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