Wydział Chemii

Agnieszka Wojciechowska

Tomasz Rojek

Magdalena Malik-Gajewska

Maria Jerzykiewicz

Rafał Wysokiński

Anna Gągor

Piotr Rytlewski

Zbigniew Staszak

Marek Duczmal

2020

Materials Science & Engineering B: Solid-State Materials for Advanced Technology

262

114723/1-114723/11

10.1016/j.mseb.2020.114723

Naukowa

Angielski

Artykuł

The ternary Cu(II)/amino-acid/diamine systems have large positive logK values than binary Cu/amino systems, suggesting stabilization due to the effective stacking interaction between aromatic diamine and the aromatic side group of the amino acid. Thus, a hybrid 3,5-diiodo-L−tyrosinato copper(II) complex with an aromatic diamine, of formula [Cu(L−I₂TyrO^-)(H₂O)(phen)]∙2H₂O (1) was characterized in depth by using X-ray, TG/DTG, DSC, FT-IR, Raman, Q-band EPR, NIR-Vis-UV, magnetic methods and the theoretical calculations. The crystal structure is stabilized by weak π···π stacking, metal···π and intra- and intermolecular π···I non-covalent interactions. The computed interaction energies of Cg(1)∙∙∙Cg(2), Cg(3)∙∙∙I and Cg(1)∙∙∙Cu ranging from 0.69 kcal/mol− -2.20 kcal/mol. The weak interactions shift the bands assigned as ν(C-I) to higher frequency in the FT-IR spectrum. The g tensor is axial with g_|| (2.239) > g_⊥ (2.057) indicating that the unpaired electron residues in the d_x2–_y2 orbital. The exchange pathway occurs in the zig-zag chain with d(Cu···Cu) = 9.429 Å.

Diiodo−L−tyrosine, Copper(II), Weak interaction, Spectroscopies (FT-IR, Raman, Q-band EPR, NIR-Vis-UV), DFT calculation, Magnetic, Thermal stability

http://dx.doi.org/10.1016/j.mseb.2020.114723

http://www.elsevier.com