ARKIVOC, vol.2007, pp.309-321, 2007 (SCI-Expanded)
Article / Article
Science Citation Index Expanded (SCI-EXPANDED), Scopus
quantum chemical studies, semi-empirical methods, thiosemicarbazones, tautomerism, ANTI-MALARIAL AGENTS, 2-ACETYLPYRIDINE THIOSEMICARBAZONES, METAL-COMPLEXES, SEMICARBAZONES, COPPER(II), INVITRO
Anadolu University Affiliated:
The tautomerisation and acid-base properties of [(1-aza-2-benzimidazol-2-ylprop-1-enyl) amino]aminomethane-1-thione were studied both in the gas and aqueous phase to elucidate the structure of this compound. The computed data, such as bond lengths, bond angles and dihedral angles, were compared with the experimental X-ray results. Excellent correlations for some properties were observed.