Journal article
Correlation between Rheological Properties of Zinc Carboxylate Liquids and Molecular Structure
The journal of physical chemistry. B, Vol.111(25), pp.7073-7077
06/28/2007
Handle:
https://hdl.handle.net/2376/104273
PMID: 17530877
Abstract
Using Fourier transform infrared spectroscopy (FTIR), the viscosity of zinc 2-ethylhexanoate liquid has been found to correlate with the intensity of an asymmetric COO stretching resonance at 1632 cm-1. This is consistent with the presence of the zinc carboxylate polymer, catena-2-ethylhexanato-(O,O‘)-tri-μ-2-ethylhexanato-(O,O‘)-dizinc(II) as the origin of the viscosity, a conclusion that is further supported by theoretical predictions. Density functional theory has been used to assign the IR spectra of the zinc carboxylate dimer, catena-2-ethylhexanato-(O,O‘)-di-(tri-μ-2-ethylhexanato-(O,O‘)-dizinc(II)-formic) acid, and the model of the molecular liquid, μ-4-oxo-hexakis-(μ-2-ethylhexanato)-tetrazinc(II). The predicted spectra indicate that the decreased symmetry of the polymer relative to the zinc 2-ethylhexanoate liquid increases the intensity of the asymmetric carboxylate stretch at 1632 cm-1 and leads to the observed correlation.
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Details
- Title
- Correlation between Rheological Properties of Zinc Carboxylate Liquids and Molecular Structure
- Creators
- Stephen C PeterangeloRobert T HartAurora E Clark
- Publication Details
- The journal of physical chemistry. B, Vol.111(25), pp.7073-7077
- Academic Unit
- Chemistry, Department of
- Publisher
- American Chemical Society
- Identifiers
- 99900546986801842
- Language
- English
- Resource Type
- Journal article