21634-99-1Relevant academic research and scientific papers
Reestimation of the Taft's substituent constant of the pentafluorophenyl group
Korenaga, Toshinobu,Kadowaki, Koichi,Ema, Tadashi,Sakai, Takashi
, p. 7340 - 7343 (2004)
The Taft's substituent constant of the pentafluorophenyl group (σ*C6F5)) was reestimated to be 1.50 by correlation between IR spectral data (vC=O) and σ* constants for a series of esters (involving the pentafluorobenzyl group) of 3-phenylpropanoic acid and butanoic acid. The possibility of the disturbance of the correlation by the intramolecular π-π interaction between C 6F5 and C6H5 groups in pentafluorobenzyl 3-phenylpropanoate was excluded by ab initio and DFT calculations of the stable conformations and their carbonyl frequencies. The reestimated σ* (C6F5) value was used for calculation of the pKa value of pentafluorobenzyl alcohol [14.5 (or 14.3)].
Analysis of airborne carboxylic acids and phenols as their pentafluorobenzyl derivatives: Gas chromatography/ion trap mass spectrometry with a novel chemical ionization reagent, PFBOH
Chien, Chao-Jung,Charles, M. Judith,Sexton, Kenneth G.,Jeffries, Harvey E.
, p. 299 - 309 (2007/10/03)
The complex photochemical transformations of biogenic hydrocarbons such as isoprene and of anthropogenic hydrocarbons such as aromatics are an important source of carboxylic acids in the troposphere. The identification of unknown carboxylic acids can be d
