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The Molecular Structure of High-Spin (S = 5/2) manganese(II) Phthalocyanine in Tetrabutylammonium bromido(phthalocyaninato)manganese(II)

The Molecular Structure of High-Spin (S = 5/2) manganese(II) Phthalocyanine in Tetrabutylammonium bromido(phthalocyaninato)manganese(II)

Dmitri V Konarev, Alexey V Kuzmin, Salavat S Khasanov, Rimma N Lyubovskaya

Acta Crystallogr C Struct Chem. 2014 May;70(Pt 5):449-51.

PMID: 24816011

Abstract:

The title complex salt, (C16H36N)[MnBr(C32H16N8)] or (TBA)[Mn(II)Br(Pc)] (TBA is tetrabutylammonium and Pc is phthalocyaninate), has been obtained as single crystals by the diffusion technique and its crystal structure was determined using X-ray diffraction. The high-spin (S = 5/2) [Mn(II)Br(Pc)](-) macrocycle has a concave conformation, with an average equatorial Mn-N(Pc) bond length of 2.1187 (19) Å, an axial Mn-Br bond length of 2.5493 (7) Å and with the Mn(II) cation displaced out of the 24-atom Pc plane by 0.894 (2) Å. The geometry of the Mn(II)N4 fragment in [Mn(II)Br(Pc)](-) is similar to that of the high-spin (S = 5/2) manganese(II) tetraphenylporphyrin (TPP) in [Mn(II)(1-MeIm)(TPP)] (1-MeIm is 1-methylimidazole).

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP14325247	Manganese(II) phthalocyanine		14325-24-7	Price

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