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Inside Cover: Natural Abundance 15N and 13C Solid-State NMR Chemical Shifts: High Sensitivity Probes of the Halogen Bond Geometry (Chem. Eur. J. 47/2016).

Authors :
Cerreia Vioglio, Paolo
Catalano, Luca
Vasylyeva, Vera
Nervi, Carlo
Chierotti, Michele R.
Resnati, Giuseppe
Gobetto, Roberto
Metrangolo, Pierangelo
Source :
Chemistry - A European Journal. 11/14/2016, Vol. 22 Issue 47, p16694-16694. 1p.
Publication Year :
2016

Abstract

Natural abundance15N solid ‐ state NMR spectroscopy provides an effective method for the direct evaluation of halogen bond (XB) geometry. The change in the 15N SSNMR chemical shifts in halogen ‐ bonded co ‐ crystals of different dipyridyl derivatives with halobenzenes and diiodoalkanes as XB ‐ donors is generally greater than 13C 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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
09476539
Volume :
22
Issue :
47
Database :
Academic Search Index
Journal :
Chemistry - A European Journal
Publication Type :
Academic Journal
Accession number :
119336000
Full Text :
https://doi.org/10.1002/chem.201604244