Issue 10, 2012
From the journal:

RSC Advances

MALDI-TOF/TOF CID study of poly(butylene adipate) fragmentation reactions†

Anthony P. Gies,‡*a   Sparkle T. Ellison,§b   Amit K. Chakraborty,a   Nicholas W. Kwieciena  and  David M. Herculesa  

* Corresponding authors

a Department of Chemistry, Vanderbilt University, Nashville, TN, USA
E-mail: APGies@Dow.com
Tel: (979) 238-1778

b Department of Chemistry and Biochemistry, University of South Carolina, Columbia, SC, USA

Abstract

This study demonstrates the use of MALDI-TOF/TOF CID fragmentation for the identification of expected and “unexpected” side products in a complex mixture of melt polymerized poly(butylene adipate) (PBA), which aged at room temperature, unexposed to direct sunlight and extreme temperature fluxuations. Expected products include PBA structures terminated with butanediol, adipic acid and buteneol (due to dehydration during synthesis); as well as cyclic architectures with no terminal groups. Additionally, side products were observed containing “unexpected” terminal groups such as glycol, propenyl, methanol, and aldehydes. Low energy fragmentation pathways and computational data are presented to verify the structural assignments of the identified structures, followed by discussion of their probable origin. 1,5-Hydrogen shift reactions were identified as the major low-energy fragmentation pathway.

Graphical abstract: MALDI-TOF/TOF CID study of poly(butylene adipate) fragmentation reactions

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Article information

DOI
https://doi.org/10.1039/C2RA20283B
Article type
Paper
Submitted
16 Feb 2012
Accepted
16 Feb 2012
First published
20 Mar 2012

RSC Adv., 2012,2, 4135-4151

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MALDI-TOF/TOF CID study of poly(butylene adipate) fragmentation reactions

A. P. Gies, S. T. Ellison, A. K. Chakraborty, N. W. Kwiecien and D. M. Hercules, RSC Adv., 2012, 2, 4135 DOI: 10.1039/C2RA20283B

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