engleski

Conformational Analysis of bis(L-N, N-dimethylvalinato)copper(II) and bis(L-N, N-dimethylleucinato)copper(II) in Different Solvents by EPR Spectroscopy and a Molecular Mechanics Study

An EPR study on the Brownian motion of bis(L-N, N-dimethylvalinato)copper(II), Cu(L-Me2Val)2, and bis(L-N, N-dimethylleucinato)copper(II), Cu(L-Me2Leu)2, dissolved in different solvents (CD3OD, CH3CH2OH, CDCl3) as a function of temperature is presented. The theoretical fit of the EPR spectra revealed different EPR behaviour of the two copper(II) complexes in the hydrogen bond making solvents. In order to examine whether the different behaviour could be explained by the conformational (sterical) reasons, a conformational analysis of the copper(II) complexes with L-N, N-dimethylated amino acids was performed with a molecular mechanics force field. The ability of the most stable conformations to bind a water molecule in the copper(II) first coordination sphere was also examined using the force field.

Complexes; Amino Acids; N; O Ligands; EPR Spectroscopy; Force Field

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