A quantum chemical NMR study of branched and unbranched fluoropolymers
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- 作者：L. N. Ignatieva ; V. M. Bouznik
- 关键词：quantum chemical calculations ; low ; molecular fluoro polymers ; 19F and 13C NMR spectra of fluorocarbon molecules
- 刊名：Journal of Structural Chemistry
- 出版年：2016
- 出版时间：September 2016
- 年：2016
- 卷：57
- 期：5
- 页码：892-900
- 全文大小：
- 刊物类别：Chemistry and Materials Science
- 刊物主题：Inorganic Chemistry; Physical Chemistry; Atomic, Molecular, Optical and Plasma Physics; Atomic/Molecular Structure and Spectra; Solid State Physics;
- 出版者：Pleiades Publishing
- ISSN：1573-8779
- 卷排序：57
文摘
The work demonstrates the results of quantum chemical calculations of 19F and 13C NMR spectra of model fluorocarbon CnF2n+2 molecules with various configurations and hydrocarbon chain molecules. The possibilities to determine the chain length, formation of branches, identification of fluorine substitution for hydrogen during the fluorination of hydrocarbon paraffins and polymers are discussed.