Inside Cover: Quantifying the Effects of Halogen Bonding by Haloaromatic Donors on the Acceptor Pyrimidine (ChemPhysChem 10/2017)

The Inside Cover picture highlights perturbations to vibrational energy levels and 13C NMR spectra of the acceptor pyrimidine upon complexation with halogen bond donors. Shifts and interaction energies increase with stronger electron withdrawing groups and more polarizable halogen atoms. More inform...

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Veröffentlicht in:	Chemphyschem 2017-05, Vol.18 (10), p.1218-1218
Hauptverfasser:	Ellington, Thomas L., Reves, Peyton L., Simms, Briana L., Wilson, Jamey L., Watkins, Davita L., Tschumper, Gregory S., Hammer, Nathan I.
Format:	Artikel
Sprache:	eng
Schlagworte:	ab initio calculations Energy levels halogen bonding NMR NMR spectroscopyRaman spectroscopy Nuclear magnetic resonance vibrational spectroscopy
Online-Zugang:	Volltext
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Beschreibung
Zusammenfassung:	The Inside Cover picture highlights perturbations to vibrational energy levels and 13C NMR spectra of the acceptor pyrimidine upon complexation with halogen bond donors. Shifts and interaction energies increase with stronger electron withdrawing groups and more polarizable halogen atoms. More information can be found in the Full Paper by D. L. Watkins, G. S. Tschumper, N. I. Hammer, and co‐workers on page 1267 in Issue 10, 2017 (DOI: 10.1002/cphc.201700114).
ISSN:	1439-4235 1439-7641
DOI:	10.1002/cphc.201700456