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- W1569639949 abstract "Tacticity-dependent splittings observed in 1H and 13C NMR spectra of poly(methyl methacrylate) are elucidated by a theoretical procedure which consists of conformational analysis of the polymer chain and shielding calculation. The conformation is analyzed by the statistical mechanical method combined with the force field energy calculation on the dyad sequence models. As significant shielding factors, diamagnetic, anisotropic, and electrostatic terms are taken into account for the chemical shifts of 1H NMR, while paramagnetic, diamagnetic, and anistropic terms are considered for 13C NMR. The calculation is used to assing the α-methyl proton, methoxyl proton, methylene proton, quaternary carbon, methylene carbon, α-methyl carbon, carbonyl carbon, and methoxyl carbon peaks split due to dyad and triad cotacticities. The results are generally consistent with the observed spectra. Especially, the calculated splitting widths are in quantitative agreement with the observed splittings of the methoxyl and α-methyl protons resonances as well as of the carbonyl and α-methyl carbons resonances. Effects of temperature and stereoregularity on the spectra are also discussed." @default.
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- W1569639949 date "1982-01-22" @default.
- W1569639949 modified "2023-10-02" @default.
- W1569639949 doi "https://doi.org/10.1002/macp.1982.021830120" @default.
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