| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1404419 | Journal of Molecular Structure | 2007 | 5 Pages |
Abstract
In this work, we investigated IR and Raman spectra from 400-1800 cmâ1 of aminopropylsiloxane (APS) polymerized on PVC substrate at room temperature. Complete assignment of the vibrational spectra was carried out using density functional theory calculations with Becke's three-parameter exchange functional in combination with the Lee-Young-Parr correlation functional (B3-LYP) and standard 6-311++ G(d, p) basis set. The vibrational spectra were calculated for two different conformations of silicooxygen rings: ladder structure and cubic structure. Comparative analysis of calculated and measured spectra reveals that ladder structure has been formed at the surface of PVC support.
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Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
V. VolovÅ¡ek, L. BistriÄiÄ, V. DananiÄ, I. Movre Å apiÄ,