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Festkörper‐NMR‐Spektroskopie kann als molekulares Goniometer für organische Feststoffe eingesetzt werden. G. Mollica und Mitarbeiter zeigen in ihrer Zuschrift auf S. 16193 ff., dass Diederwinkel in organischen Festkörpern durch eine einfache Karplus‐Gleichung mit skalaren 13C‐13C‐Kopplungen über drei Bindungen in Beziehung stehen, wodurch die Molekülkonformation im Festkörper mittels NMR‐Spektroskopie...
Vicinal scalar couplings (3J) are extensively used for the conformational analysis of organic compounds in the liquid state through empirical Karplus equations. In contrast, there are no examples of such use for the structural investigation of solids. With the support of first principles calculations, we demonstrate here that 13C‐13C 3J coupling constants (3JCC) measured on a series of isotopically...
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