Practical farm chemistry : a handbook of profitable crop feeding / by T. Greiner.

Greiner, Tuisco

doi:10.5962/bhl.title.21942

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“…Although its estrogenic activity was confirmed at that time, interest in its pharmaceutical applications waned after diethylstilbestrol (DES) was determined to be a more potent estrogen than BPA . Although BPA never found use as a drug, it received a second life in the polymer industry and become one of the highest volume chemicals produced worldwide, with over 6 billion pounds produced each year and over 100 tons pa released into the atmosphere during the course of production alone . As a component of polycarbonate (PC; see Figure b) and other plastics including resins, BPA found extensive uses in applications such as food containers, electronics, safety equipment, and automobiles.…”

Section: Introductionmentioning

confidence: 99%

Is the Bisphenol A Biradical Formed in the Pyrolysis of Polycarbonate?

et al. 2011

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An unknown species has been detected in the analysis of the products in a pyrolysis of polycarbonate using Li(+) ion-attachment mass spectrometry (IAMS). The mass spectra exhibited a Li(+) adduct peak at m/z 233 that was tentatively assigned to bisphenol A (BPA) biradical. Experimentally, this assignment was supported by the observation that the production rate increased under an inert nitrogen atmosphere. To further confirm the assignment, the stability of the BPA biradical to intramolecular rearrangement reactions as well as unimolecular decomposition has been analyzed via density functional theory calculations [B3LYP/6-311+G(3df,2p)]. The results show that the bisphenol A biradical is an open-shell biradical singlet that is stable to unimolecular decomposition. Although some of the proposed intramolecular rearrangement products have lower energies than those of the BPA diradical, these pathways have large reaction barriers and the kinetic lifetime of the radical is expected to be of the order of hours under the conditions of the experiment. The calculations also reveal that the bisphenol A diradical has large Li(+) affinities supporting the fact that these Li(+) complexes could be detected in the Li(+) ion attachment mass spectrometry. On the basis of these results the Li(+) adduct peak at m/z 233 detected in the pyrolysis of polycarbonate is assigned to the bisphenol A biradical.

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Section: Introductionmentioning

confidence: 99%