An International Peer Reviewed Research Journal

AJP

SSN : 0971 - 3093

Vol 3, No 2, February, 1994

 

Asian Journal of Physics                                                                                                                Vol. 3 No 2, 1994, 71-75


Vibrational and NMR studies on o-, m- and p- chlorobenzoic acids

 

P KOCZON1 , H. BARANSKA2 and W LEWANDOWSKI1

1Institute of General Chemistry, Warsaw Agricultural University, SGGW,
Rakowiecka 26/30, 02-528 Warsaw, Poland.

2Department of Technology Fundamentals, Industrial Chemistry Research Institute,
Rydygiera 8, 01-793 Warsaw, Poland.

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The 1H NMR, IR, and Raman spectra of o-, m- and p- chlorobenzoic acids were recorded and studied. The effect of position of substituents on the electronic properties (mainly π-electron system) of the molecules have been investigated. Three independent criteria: frequency and intensity of bands in vibrational spectra, chemical shifts of protons in 1H NMR spectra, and calculated values of delocalization energy, were applied to estimate perturbation of the aromatic system of benzoic acid in compounds under study. Comparing spectral and semi-empirical data we have found correlations between the degree of perturbation of the aromatic system of benzoic acid and positions of substituents in the ring. Dependence between chemical shifts in NMR spectra and electronic charge density are also reported.

Total Refs:9

vibrationalandnmrstudiesono-m-andp-chlorobenzoicacids.pdf
P Koczon, H Baranska and W Lewandowski

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