| Autor: |
Sofue, Susumu, Yamasaki, Terumasa, Morita, Hideo, Kitahama, Yoshiharu |
| Zdroj: |
Polymer Journal; November 1998, Vol. 30 Issue: 11 p891-896, 6p |
| Abstrakt: |
Detailed structures of methacrolein dimer (MAD) were analyzed by nuclear magnetic resonance (NMR) and theoretical calculations. Two dimensional 1H and 13C NMR peaks were assigned. Relative stability of conformations and interconversion barrier height were studied by semi-empirical MNDO and ab initio DFT calculations. Barrier height between pseudoaxial and pseudoequatorial half-chair conformers was 5.8 kcal mol-1. Separations of chemical shifts of two protons bonded to the same methylene carbons became larger as measurement temperature decreased, due to reduced mobility of the ring framework. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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