Synthesis and Crystal Structure of 2,4,6-Triphenylpyrylium Acetonato(C)chlorophthalocyaninato(2–)iridate(III) Monohydrate

Abstract

Phthalocyaninato(2–)iridate(I) is oxidized by air in acetone to form acetonato(C)chlorophthalocyaninato(2–)iridate(III) in the presence of chloride. The anion is isolated as its 2,4,6-triphenylpyrylium salt, ( TPPy )[ Ir ( aC )( Cl ) Pc 2−]. Its monohydrate crystallizes in the monoclinic space group P1n1 (#7). The cell parameters are a = 12.452(3) Å, b = 12.339(3) Å, c = 15.352(4) Å, β = 100.75(2) °, Z = 2. Hexa-coordinated Ir is located slightly out of the centre (ct) of the Pc core (d( Ir-ct ) = 0.02 Å) and directed towards the acetonato C atom. It coordinates four isoindole N atoms ( N iso ) together with a Cl atom and a C-bonded acetonate in a mutual trans position. The average Ir – N iso distance is 1.966 Å;, the Ir – Cl distance is 2.501(5) Å; and the Ir –C distance is 2.11(2) Å.