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Inside Cover: Natural Abundance 15 N and 13 C Solid‐State NMR Chemical Shifts: High Sensitivity Probes of the Halogen Bond Geometry (Chem. Eur. J. 47/2016)
Author(s) -
Cerreia Vioglio Paolo,
Catalano Luca,
Vasylyeva Vera,
Nervi Carlo,
Chierotti Michele R.,
Resnati Giuseppe,
Gobetto Roberto,
Metrangolo Pierangelo
Publication year - 2016
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201604244
Subject(s) - chemical shift , halogen , chemistry , nuclear magnetic resonance spectroscopy , halogen bond , spectroscopy , molecular geometry , cover (algebra) , solid state nuclear magnetic resonance , analytical chemistry (journal) , crystallography , computational chemistry , stereochemistry , molecule , nuclear magnetic resonance , organic chemistry , physics , mechanical engineering , alkyl , quantum mechanics , engineering
Natural abundance 15 N solid‐state NMR spectroscopy provides an effective method for the direct evaluation of halogen bond (XB) geometry. The change in the 15 N SSNMR chemical shifts in halogen‐bonded co‐crystals of different dipyridyl derivatives with halobenzenes and diiodoalkanes as XB‐donors is generally greater than 13 C chemical shifts and it is shown to experimentally correlate with the normalized distance parameter of the XB. The same overall trend is confirmed by DFT calculations of the chemical shifts. More information can be found in the Full Paper by R. Gobetto, P. Metrangolo et al. on page 16819 ff.