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Designed Cocrystals Based on the Pyridine−Iodoalkyne Halogen Bond

✍ Scribed by Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W.

Book ID
125991479
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
158 KB
Volume
7
Category
Article
ISSN
1523-7060

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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**···**HX H‐bonds with HX (X = F, Cl). The results demonstrated that the formation of hydrogen bond leads to an inc