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Halogen Bonding in Iodo-perfluoroalkane/Pyridine Mixtures

✍ Scribed by Fan, Haiyan; Eliason, Jeffrey K.; Moliva A., C. Diane; Olson, Jason L.; Flancher, Scott M.; Gealy, M. W.; Ulness, Darin J.


Book ID
120350508
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
593 KB
Volume
113
Category
Article
ISSN
1089-5639

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## Abstract Density functional method B3LYP plus the AUG‐cc‐pVDZ and AUG‐cc‐pVTZ basis sets is used to investigate ring normal modes of halogen‐substituted pyridines involved in the N**Β·Β·Β·**Hο£ΏX H‐bonds with HX (X = F, Cl). The results demonstrated that the formation of hydrogen bond leads to an inc