De Proft, F.’s team published research in Journal of Physical Chemistry in 98 | CAS: 155142-69-1

Journal of Physical Chemistry published new progress about 155142-69-1. 155142-69-1 belongs to catalysis-chemistry, auxiliary class Difluoromethyl,Fluoride,Carboxylic acid,Aliphatic hydrocarbon chain, name is 3,3-Difluoropropanoic acid, and the molecular formula is C3H4F2O2, Product Details of C3H4F2O2.

De Proft, F. published the artcileQuantum-Chemical Study of the Acidity of Substituted Acetic Acids with Density Functional Theory Based Descriptors, Product Details of C3H4F2O2, the publication is Journal of Physical Chemistry (1994), 98(20), 5227-33, database is CAplus.

Acidity differences of substituted acetic acids XCH2COOH are interpreted in terms of the nature of the group X. Traditional quantum-chem. and d. functional theory based descriptors of chem. reactivity are calculated for 15 acids and are correlated with exptl. acidities in aqueous solution and in the gas phase. The results are interpreted within the framework of Pearson’s hard and soft acids and bases principle, stating that hard acids prefer to bond to hard bases and soft acids prefer to bond to soft bases. Calculated parameters, which are a measure of local hardness, show a pos. correlation with the exptl. acidities. The acidities in aqueous solution show almost no dependence on the softness (polarizability) of the group X, while this group softness seems to play an important role in the gas phase, although it is a minor one in comparison to the hard parameters.

Journal of Physical Chemistry published new progress about 155142-69-1. 155142-69-1 belongs to catalysis-chemistry, auxiliary class Difluoromethyl,Fluoride,Carboxylic acid,Aliphatic hydrocarbon chain, name is 3,3-Difluoropropanoic acid, and the molecular formula is C3H4F2O2, Product Details of C3H4F2O2.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia