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- W205614715 abstract "Publisher Summary This chapter presents a comparison of 13C chemical-shielding anisotropy in model compounds and coals with theoretical values. In a study described in the chapter, all spectra were recorded using standard cross-polarization pulse sequences with high-power proton decoupling. For triphenylene and the three labeled phenanthrene samples, static powder patterns were obtained; for the remaining molecules, variable angle sample spinning (VASS) spectra were recorded. The triphenylene spectrum was recorded at room temperature on a Bruker CXP-200 spectrometer, whereas the phenanthrene spectra were measured at a temperature of approximately 20 K using an Air Products closed-cycle refrigeration unit on a home-built instrument operating at a proton frequency of 80 MHz. The tensor components were extracted with the use of a SIMPLEX spectral fitting routine. The agreement observed between theory and experiment lends support to the use of the calculations as a tool to aid in the interpretation of the experimental results and in cases for which molecules cannot be studied experimentally. The tensor components obtained in the model compounds presented are similar to those observed in four nonanthracite coals measured via VASS." @default.
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- W205614715 date "1991-01-01" @default.
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- W205614715 title "COMPARISON OF 13C CHEMICAL SHIELDING ANISOTROPY IN MODEL COMPOUNDS & COALS WITH THEORETICAL VALUES" @default.
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- W205614715 doi "https://doi.org/10.1016/b978-0-7506-0387-4.50021-8" @default.
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