Synthesis and molecular structure of di(1,3-propanediolato)(tetraphenylporphyrinato) phosphorus(V) chloride: [P(tpp)(OCH 2CH 2CH 2OH) 2] +Cl −

Abstract

The title compound di(1,3-propanediolato)(tetraphenylporphyrinato)phosphorus(V) chloride, [P(tpp)(OCH 2CH 2CH 2OH) 2] + Cl −, has been synthesized and its molecular structure determined by X-ray analysis. The cation displays and octahedral coordination geometry for the phosphorus atom. The displacement of the phosphorus atom from the porphyrin mean plane is 0.016 Å. The geometry around the phosphorus centre of the P(tpp)(OCH 2CH 2CH 2OH) + 2Cl − molecule has PO(1) = 1.638(4), PO(2) = 1.642(4) and PN p = 1.844(4) Å. There is hydrogen bonding between the axial 1,3-propanediolate groups and the chloride counterion. NMR spectroscopy provides a complementary method for the investigation of the 1,3-propanediolate ligand. The 13C resonances (24°C) of this axial ligand were observed at 59.3 [POC*CCOH, with 2 J(PC) = 15.1 Hz], 30.0 [POCC*COH, 3 J(PC) = 16.1 Hz] and 57.0 ppm (POCCC*OH). 1H spectra show shielding effects arising from the porphyrin ring current.