18802-87-4Relevant articles and documents
Acidities of Water and Simple Alcohols in Dimethyl Sulfoxide Solution
Olmstead, William N.,Margolin, Zafra,Bordwell, Frederick G.
, p. 3295 - 3299 (1980)
A method is described for determining equilibrium constants between the indicators triphenylmethane and diphenylmethane (DH) and the solvent Me2SO; pKa values of 32.1 and 35.1 are assigned to DH and Me2SO, respectively.This method is then extended to the determination of pKa values for MeOH, EtOH, i-PrOH, and H2O in Me2SO, taking into account the leveling effects of the solvent, homohydrogen bonding ("homoconjugation"), and ion pairing.The pKa values of simple alcohols in Me2SO were found to increase progressively with molecular size: MeOH (29.0) a of H2O in Me2SO is higher (31.4), but is lower than that of t-BuOH (32.2).
Charge-Carbon-13 Empirical Relationships in Organic Ions: An Improvement Extending the Access to Experimental Charge Maps
Bradamante, Silvia,Pagani, Giorgio A.
, p. 2863 - 2870 (2007/10/02)
An improved emperical relationship between 13C shifts and local ? electron densities is proposed for organic ions.Accordingly, the 13C shifts can be predicted by summing two terms: the first takes into account the shielding contributions of neighboring gr