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Back Cover: A Karplus Equation for the Conformational Analysis of Organic Molecular Crystals (Angew. Chem. Int. Ed. 45/2019)
Author(s) -
Thureau Pierre,
Carvin Isaure,
Ziarelli Fabio,
Viel Stéphane,
Mollica Giulia
Publication year - 2019
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201911629
Subject(s) - dihedral angle , chemistry , cover (algebra) , nuclear magnetic resonance spectroscopy , spectroscopy , solid state , solid state nuclear magnetic resonance , molecular geometry , crystallography , computational chemistry , molecular solid , molecule , stereochemistry , organic chemistry , nuclear magnetic resonance , hydrogen bond , physics , mechanical engineering , engineering , quantum mechanics
Solid‐state NMR spectroscopy can be used as a molecular goniometer for organic solids. In their Communication on page 16047 ff., G. Mollica et al show that dihedral angles in organic solids are related to three‐bond 13 C‐ 13 C scalar couplings through a simple Karplus equation, thereby allowing molecular conformation in the solid state to be determined by NMR spectroscopy. These findings open new avenues for the atomic‐level structure determination of materials that exist as powders.