Two Cu(ii)-triadimenol complexes as potential fungicides: synergistic actions and DFT calculations.

ABSTRACT: Two Cu(ii) complexes, namely, [CuL₄(H₂O)₂]·2NO₃·2CH₃OH 1 and [CuL₂(CH₃COO)₂] 2, (L = (1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol, triadimenol, a commercial 1,2,4-triazole pesticide) were synthesized and characterized by elemental analysis, IR spectra, UV-Vis spectra and single crystal X-ray diffraction. Crystal structural analysis shows that the different types of salts (copper acetate is covalent, while copper nitrate is ionic) contribute to different crystal structures: complex 1 consists of one copper cation, four ligands, two coordinated water molecules, two free nitrate anions and two uncoordinated methanol molecules. Complex 2 is composed of one copper c

SUBMITTER: Li J 

PROVIDER: S-EPMC9077557 | biostudies-literature | 2018 Jan

REPOSITORIES: biostudies-literature