X-ray Diffraction Study of Fluorine-Functionalized Thiosemicarbazones and Cyclometallated Compounds

Abstract

In this work, an X-ray diffraction study of fluorine-functionalized thiosemicarbazone ligands and their corresponding cyclometallated compounds is discussed. The results are in agreement with previous characterization by IR spectroscopy, 1H and 19F NMR spectroscopy. Suitable crystals were obtained for a thiosemicarbazone ligand and a cyclometallated compound. The crystal structure analyses are in accordance with the proposed structures: a fluorine-functionalized thiosemicarbazone ligand and a cyclometallated compound in which the thiosemicarbazone is a tridentate [C, N, S] ligand. A comparative study of bond distances and angles is shown, providing information about the coordination of the ligand to the metal center.

Keywords

• X-ray
• thiosemicarbazone
• palladium
• cyclometallation
• fluorine