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- W2148778519 abstract "Before and after cis-trans isomerization, the observed 13C-NMR chemical shifts of poly(phenylacetylene) (PPA) in the solid state were investigated on the basis of 13C-NMR chemical shift calculations within AM1 for the cis-transoidal and deflected trans-transoidal forms. Two 13C-resonance peaks in the observed CP/MAS 13C-spectrum were assigned theoretically by the 13C chemical shifts of the main and side chains. After thermal isomerization, the 13C peak of the main chain for PPA shifted upfield by 3.5 ppm, in contrast to the downfield shift of the 13C peak for polyacetylene. This upfield shift of trans-PPA largely was attributed to the increases of the excitation energy from the ground state to the lowest φπ–π* state in the paramagnetic terms of 13C chemical shift on the main chain carbons with the increase in deflected angle τ of 0 to 80°. The ±80° deflected conformation of the trans-transoidal chain due to the cis-trans isomerization was confirmed. © 1999 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 37: 1657–1664, 1999" @default.
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- W2148778519 date "1999-07-15" @default.
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- W2148778519 title "Cis-trans isomerization and13C-NMR chemical shift of polyphenylacetylene" @default.
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- W2148778519 doi "https://doi.org/10.1002/(sici)1099-0488(19990715)37:14<1657::aid-polb10>3.0.co;2-n" @default.
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