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Delocalized free electron densities in degraded polystyrene and polypropylene macroradicals: The source of different photooxidation rates

Lookup NU author(s): Emeritus Professor Jim White

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Abstract

Electron structures of alkyl, alkoxy, and peroxy macroradicals for both polypropylene and polystyrene have been studied with quantum chemical methods. The polystyrene tertiary alkoxy macroradical has full delocalization of free spin on a neighboring aromatic ring. In addition, the spin is quite delocalized on polystyrene tertiary alkoxy macroradicals and also on both secondary and tertiary peroxy macroradicals. Such strong delocalization does not occur with polypropylene macroradicals, and it is proposed that the inactivation of polystyrene macroradicals caused by spin delocalization is the reason that polystyrene photodegradation rates are slower than those of polypropylene. © 2003 Wiley Periodicals, Inc.

Publication metadata

Author(s): Shyichuk A, Melnyk D, White JR

Publication type: Article

Publication status: Published

Journal: Journal of Polymer Science, Part A: Polymer Chemistry

Year: 2003

Volume: 41

Issue: 8

Pages: 1070-1076

ISSN (print): 0887-624X

ISSN (electronic): 1099-0518

Publisher: Wiley-Blackwell Publishing

URL: http://dx.doi.org/10.1002/pola.10645

DOI: 10.1002/pola.10645

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