Abstract
The semi-empirical quantum-chemical method PCILO 3 was used to estimate the directions, lengths and energies of the intermolecular hydrogen bonds between thiourea (TU) molecules in selected TU-solvent-TU, TU-anion-TU and TUTUTU clusters. The results obtained for the hydrogen bond energies support the sequence TU + H 2O < TU + EtOH < TU + CH 3CN and TU + NO 3 − < TU + ClO 4 − < TU + F − of increasing stability of thiourea condensates, established by electrochemical studies at the mercury/solution interface.
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