Heterogeneous Coordination Environments in Lithium-Neutralized Ionomers Identified Using 1H and 7Li MAS NMR
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Dept. of Nanostructured and Electronic Materials; DOE/OSTI
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Dept. of Nanostructured and Electronic Materials
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Dept. of Nanoscale and Reactive Processes
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Computational Materials Science and Engineering Dept.
- Univ. of Pennsylvania, Philadelphia, PA (United States). Dept. of Chemical and Biomolecular Engineering
- Univ. of Pennsylvania, Philadelphia, PA (United States). Dept. of Material Science and Engineering
- DuPont Central Research and Development, Wilmington, DE (United States)
- Univ. of Florida, Gainesville, FL (United States). Dept. of Chemistry. Center for Macromolecular Science and Engineering
The carboxylic acid proton and the lithium coordination environments for precise and random Li-neutralized polyethylene acrylic acid P(E-AA) ionomers were explored using high speed solid-state 1H and 7 Li MAS NMR. While the 7 Li NMR revealed only a single Li coordination environment, the chemical shift temperature variation was dependent on the precise or random nature of the P(E-AA) ionomer. The 1H MAS NMR revealed two different carboxylic acid proton environments in these materials. By utilizing 1H-7 Li rotational echo double resonance (REDOR) MAS NMR experiments, it was demonstrated that the proton environments correspond to different average 1H-7 Li distances, with the majority of the protonated carboxylic acids having a close through space contact with the Li. Molecular dynamics simulations suggest that the shortest 1H-7 Li distance corresponds to un-neutralized carboxylic acids directly involved in the coordination environment of Li clusters. These solid-state NMR results show that heterogeneous structural motifs need to be included when developing descriptions of these ionomer materials.
- Research Organization:
- Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division
- Grant/Contract Number:
- AC04-94AL85000
- OSTI ID:
- 1628434
- Journal Information:
- Materials, Journal Name: Materials Journal Issue: 8 Vol. 5; ISSN 1996-1944; ISSN MATEG9
- Publisher:
- MDPICopyright Statement
- Country of Publication:
- United States
- Language:
- English
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journal | September 2015 |
Crystallization of Precision Ethylene Copolymers
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book | January 2015 |
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