Graton, J.; Besseau, F.; Goupille, A.; Le Questel, J.-Y. published the artcile< Hydrogen-bond acidity of silanols: A combined experimental and theoretical study>, Name: Triphenylmethanol, the main research area is quantum chem hydrogen bond acidity silanol.
The hydrogen-bond (H-bond) donating ability of a series of silanol derivatives has been determined by FTIR spectrometry and complemented by quantum chem. calculations at the DFT (MPWB1K/6-31+G(d,p)) level. The equilibrium constants of complexation with N-methylpyrrolidinone have been measured in CCl4 solutions These data expand the pKAHY scale previously covering the field of aliphatic alcs., phenols and fluorohydrins. Compared to the corresponding alc. derivatives, the silanol chem. function is a stronger H-bond donor, although the observed frequency shifts, ΔνOH, suggest much greater differences in donor strength than is actually observed The electrostatic potential descriptor, Vα(r), is successfully used to complete the pKAHY vs. Vα(r) relationship, a helpful methodol. to validate the exptl. data and to estimate the H-bond acidity of unavailable, unstable, or immiscible compounds
Journal of Molecular Structure published new progress about Acidity. 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, Name: Triphenylmethanol.
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