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Vibrational Analysis of Terephthalate and Terephthalate-d4 Ions

Volume 41, Number 3 (April 1987) Page 463-467

Boerio, F.J.; Roth, P.G.

Infrared and Raman spectra of the terephthalate and terephthalate-d4, ions have been obtained. Normal coordinate analysis was carried out for both ions by transferring force fields from previous work on aromatic esters and p-nitro-benzoate and then refining all the force constants for the carboxylate groups and the diagonal force constants for the benzene rings by a first-order perturbation technique. An interpretation of the observed spectra has been proposed and selected eigenvectors have been presented.