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

• Published in: The Journal of Physical Chemistry A Vol. 115; no. 19; pp. 4874 - 4881
• Main Authors: Arulmozhiraja, Sundaram, Coote, Michelle L, Kitahara, Yuki, Juhász, Márta, Fujii, Toshihiro
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 19.05.2011; American Chemical Society (ACS)
• Subjects: A: Kinetics, Spectroscopy; Benzhydryl Compounds; Bisphenol A; Density functional the; Diradicals; Free Radicals; Free Radicals - chemical synthesis; Free Radicals - chemistry; Inert nitrogen; Intramolecular rearrangement; Ion attachment; Keywords: Analysis of the product; Lower energies; Mass spectra; Molecular Structure; Open-shell; Phenols; Phenols - chemical synthesis; Phenols - chemistry; Polycarboxylate Cement; Polycarboxylate Cement - chemistry; Production rates; Quantum Theory; Reaction barriers; Stereoisomerism; Thermodynamics; Unimolecular decompositions; Via density

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 assignmen...