Halogen-halogen, halogen-oxygen, and dipolar interactions in a series of Re(I)(CO)3 complexes with halogen-substituted nitrogen-donor ligands
نویسندگان
چکیده
منابع مشابه
Halogen transfer through halogen bonds in halogen-bound ammonia homodimers.
Ab initio MP2(full)/aug-cc-pVTZ calculations have been carried out to investigate the halogen transfer between haloamines and ammonia. The results show that the formation of a halogen bond complex between ammonia and the protonated N-haloamine is a preliminary step in the halogen transfer process. The complexation energies, optimized geometries, topology of electron density and potential energy...
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M06-2X functional was employed to study halogen-π interactions in X-C2-Y…C8H8 complexes (X, Y=H, F, Cl, and Br). In fact, interactions of mono- or di-halogenated acetylenes and planar cyclooctatetraene as an anti-aromatic π system were considered. Relationship between binding energies of the complexes and charge transfer effects was investigated. Also, electronic charge density values were calc...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2016
ISSN: 2053-2733
DOI: 10.1107/s2053273316094997