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

doi:10.1107/S2053229614007475

The molecular structure of high-spin (S = 5/2) manganese(II) phthalocyanine in tetrabutylammonium bromido(phthalocyaninato)manganese(II)

Acta Crystallogr C Struct Chem. 2014 May;70(Pt 5):449-51. doi: 10.1107/S2053229614007475. Epub 2014 Apr 10.

Authors

Dmitri V Konarev¹, Alexey V Kuzmin², Salavat S Khasanov², Rimma N Lyubovskaya¹

Affiliations

¹ Institute of Problems of Chemical Physics, Russian Academy of Science, Chernogolovka 142432, Russian Federation.
² Institute of Solid State Physics, Russian Academy of Science, Chernogolovka 142432, Russian Federation.

PMID: 24816011
DOI: 10.1107/S2053229614007475

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).

Keywords: crystal structure; high-spin manganese(II) complex; phthalocyanine ligand; tetrabutylammonium salt.

MeSH terms

Coordination Complexes / chemistry*
Crystallography, X-Ray
Electron Spin Resonance Spectroscopy
Indoles / chemistry*
Isoindoles
Manganese / chemistry*
Molecular Structure

Substances

Coordination Complexes
Indoles
Isoindoles
Manganese
phthalocyanine