NMR and DFT Studies of Hydrogen Bonding in Salicylaldehyde Thiosemicarbazone Derivatives: Substituent and Solvent Effects (CROSBI ID 529362)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Biljan, Tomislav ; Novak, Predrag ; Pičuljan, Katarina ; Hrenar, Tomica ; Cindrić, Marina
engleski
NMR and DFT Studies of Hydrogen Bonding in Salicylaldehyde Thiosemicarbazone Derivatives: Substituent and Solvent Effects
Salicylaldehyde thiosemicarbazones and their metal complexes belong to an important class of compounds that posses anti-infective, anti-inflammatory and anti-cancer activity. X-ray structural analysis has confirmed the existence of intramolecular hydrogen bonds in solid state of different salicylaldehyde thiosemicarbazone derivatives [1, 2]. These week interactions can play a significant role in the overall biological activity of thiosemicarbazones. Owing to the proton transfer in the intramolecular OH• • • N hydrogen bond, thiosemicarbazones might exist in the two tautomeric forms, i.e. hydroxy-thione and keto-thione forms. Hence, it is of importance to further explore the nature and strength of hydrogen bonding in solution. In this study we combined NMR and DFT methods to investigate the effects of different solvents and substituents on both intra- and intermolecular hydrogen bonds in salicylaldehyde thiosemicarbazones. Solvents of different polarities, e.g. different proton donor and acceptor properties and substituents with different electron donating abilities were used.
hydrogen bonding; NMR; DFT; salicylaldehyde thiosemicarbazones; substituents; solvents
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Podaci o prilogu
268-268.
2007.
objavljeno
Podaci o matičnoj publikaciji
Programme and Book of Abstracts of the EUROMAR Magnetic Resonance Conference
Tarragona:
Podaci o skupu
EUROMAR Magnetic Resonance Conference
poster
01.06.2007-05.06.2007
Tarragona, Španjolska