Conformation, Structure, and UV-Visible and Circular Dichroism Spectra of Cobalt(III) Complexes of 1-Phenyl-2-amino-1,3-dihydroxypropanes

Document Type

Article

Publication Date

1-1-1979

Description

The ligands (1S,2S)-(+)-l-phenyl-2-amino-l,3-dihydroxypropane, C6H5CH(OH)CH(NH2)CH2OH, (+)-PAHPH, and (1R,2R)-(-)-l-phenyl-2-amino-l,3-dihydroxypropane upon reaction with hexanitrocobaltate(III) ion yielded Co-(PAHPH)(PAHP)2(NO2). Treatment of this complex with ethylenediamine plus chloride or iodide ion yielded green crystals of trans-Co(PAHP)2(en)C1.4H2O and purple crystals of the cis isomer. The latter compound was converted to Co-(PAHP)2(en)I-H2O. Crystals of this compound are orthorhombic with a = 6.786 (2) Å, b = 14.469 (2) Å, c = 24.807 (4) Å, and Z = 4. The space group is P2l2l2l. Intensity data (2677 reflections above background) were obtained with an automated counter diffractometer (CAD-4) by using the θ-2θscan technique. The structure was solved by a combination of Patterson and Fourier methods. Refinement by full-matrix least-squares procedures led to a final R of 0.029 and weighted Rw of 0.042. The amino alcohol coordinates through the amino group and the O- on C1. Cobalt is octahedrally coordinated with the two ethylenediamine nitrogens and the alcohol oxygens forming the equatorial plane. The conformation is Δ (δδλ). Spectral data are presented for all the compounds and used to delineate their conformations as well as provide information on protonation-deprotonation equilibria.

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