Solvatochromic Study of Two Carbanion Monosubstituted 4-Tolyl-1,2,4-triazol-1-ium Phenacylids in Binary Hydroxyl Solvent Mixtures.

Two 4-tolyl-1,2,4-triazol-1-ium methylids, namely 4-tolyl-1,2,4-triazol-1-ium-phenacylid and 4-tolyl-1,2,4-triazol-1-ium-4'-nitro-phenacylid, are studied from solvatochromic point of view in binary solvent mixtures of water with ethanol and water with methanol. The contributions (expressed in percent) of the universal and specific interactions are separated from the spectral shifts recorded in the visible range for each composition of the binary solvent mixture. The essential role of the orientation and induction interactions in the studied solutions was demonstrated.

Computational and solvatochromic study of pyridinium-acetyl-benzoyl-methylid (PABM).

Pyridinium-acetyl-benzoyl-methylid is a cycloimmonium ylid studied here from structural and spectral point of view. Quantum mechanical analysis offers information about the most stable spatial structure, the electro-optical properties in the ground electronic state as well as the QSAR parameters of PABM. The solvatochromic study of the visible absorption band of PABM was made in order to establish the electro-optical features of the ylid in the excited electronic state and also to approximate the contribution of different types of intermolecular interactions in solutions with different solvents.