Reactions of substituted 1,2,3-selena- and thia-diazoles with (η5-C5H4R)Mn(CO)2THF, R H, Me, lead to isolable blue complexes in which THF is replaced by the diazole ligand. The X-ray structure of the benzothiadiazole complex is reported and shows the intact diazole bonded via N2 to manganese. Ab initio calculations on 1,2,3-thiadiazole generated a structure and protonation energies that confirm N2 as the site of coordination, and also predict significant structural variations upon coordination. However, the structure of the free benzo-1,2,3-thiadiazole was determined and shows no significant structural change upon coordination. Similarly, the structure of 4-phenyl-1,2,3-thiadiazole was deterined and exhibits the same structural parameters as the W(CO)5 substituted ligand.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Organic Chemistry
- Inorganic Chemistry
- Materials Chemistry