Investigation of the electronic and magnetic hyperfine properties of the copper(II) and zinc(II) complexes.

The treatment of cancer diseases are a dangerous world wide\ud problem that requires the usage of extreme techniques such as surgery and\ud the use of metallodrugs (pharmaceutical metal complexes). The most famous\ud antitumor metal complex is the cisplatin but it has several collateral effects\ud that cause injuries in the patients. This opens opportunity to research and\ud develop alternatives that could increase the efficiency or reduce the body\ud damage. However, metal complexes are a difficult class of compound to deal\ud with, often requiring theoretical methods to guide the characterization of the\ud molecules. We investigate the electronic and magnetic hyperfine properties\ud of the copper(ll) and zinc(ll) complexes of 2(3H)- Furanone,dihydro-3-\ud (hydroxyphenylmethyl)-4-[(1-methyl-1 H-imidazol-4-yl)methyi]-,[3S[\ud 3a(R*),4b]] (Epiisopiloturine) metal complex, an alkaloid that show activity\ud against cancer and schistosomiasis

Oxidation of Alcohols and Activated Alkanes with Lewis Acid-Activated TEMPO

The reactivity of MCl3(η(1)-TEMPO) (M = Fe, 1; Al, 2; TEMPO = 2,2,6,6-tetramethylpiperidine-N-oxyl) with a variety of alcohols, including 3,4-dimethoxybenzyl alcohol, 1-phenyl-2-phenoxyethanol, and 1,2-diphenyl-2-methoxyethanol, was investigated using NMR spectroscopy and mass spectrometry. Complex 1 was effective in cleanly converting these substrates to the corresponding aldehyde or ketone. Complex 2 was also able to oxidize these substrates; however, in a few instances the products of overoxidation were also observed. Oxidation of activated alkanes, such as xanthene, by 1 or 2 suggests that the reactions proceed via an initial 1-electron concerted proton-electron transfer (CPET) event. Finally, reaction of TEMPO with FeBr3 in Et2O results in the formation of a mixture of FeBr3(η(1)-TEMPOH) (23) and [FeBr2(η(1)-TEMPOH)]2(μ-O) (24), via oxidation of the solvent, Et2O

Free-radical clocks

Peer reviewed: YesNRC publication: Ye

Electron paramagnetic resonance and the art of physical-organic chemistry

Peer reviewed: YesNRC publication: Ye

Electrochemistry of transient free radicals

NRC publication: Ye

Electron paramagnetic resonance spectral parameters for organic free radicals in solution

NRC publication: Ye