Dispersion dominated halogen-[small pi] interactions: energies and locations of minima

The interactions of halogen atoms with aromatic [small pi]-systems can be crucial for structural stability and ligand binding. However, many aspects of the nature and energetics of these interactions remain elusive. Therefore, we designed model systems mimicking the T-shaped complex of chloro- and b...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2010-01, Vol.12 (45), p.14941-14949
Hauptverfasser:	Wallnoefer, Hannes G, Fox, Thomas, Liedl, Klaus R, Tautermann, Christofer S
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic structure Dispersions Halogens Ligands Minima Physical chemistry Potential energy Structural stability
Online-Zugang:	Volltext
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