Naslov
Benzyl Dihydrazone versus Thiosemicarbazone Schiff Base: Effects on the Supramolecular Arrangement of Cobalt Thiocyanate Complexes and the Generation of CoN6 and CoN4S2 Coordination Spheres

Autori
Mahmoudi, Ghodrat ; Zaręba, Jan K. ; Gurbanov, Atash V. ; Bauzá, Antonio ; Zubkov, Fedor I. ; Kubicki, Maciej ; Stilinović, Vladimir ; Kinzhybalo, Vasyl ; Frontera, Antonio

Izvornik
European journal of inorganic chemistry (1434-1948) 40 (2017); 4763-4772

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Ligand effects ; Hydrogen bonds ; Schiff bases ; Hirshfeld surface analysis ; Noncovalent interactions

Sažetak
In this study, we examine the coordination chemistry of benzyl dihydrazone and thiosemicarbazone Schiff bases featuring different chelation modes, steric bulk, and reactivities towards cobalt(II) thiocyanate. The tetradentate benzyl dihydrazone ligands coordinate to the Co(SCN)2 fragment to form CoN6 coordination spheres (1–3), whereas the thiosemicarbazone ligands provide CoIII complexes featuring CoN4S2 coordination spheres (4 and 5) and charge-balancing anions {; ; ; ; ; ; SCN– and [Co(SCN)4]2– for 4 and 5, respectively}; ; ; ; ; ; . Hirshfeld surface (HS) analysis revealed a substituent effect that results in an increasing number of H···H contacts in the order –H < –CH3 < –Ph (1–3, respectively). The H bonding in 4 and 5 as well as the associated energies were computed by the DFT approach, and these interactions appear to be crucial for the formation of the supramolecular systems. The DFT study also suggested that the H-bonded dimers in 5 are examples of the recently described “antielectrostatic” H bonds.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA