A new unconventional halogen bond CX···H
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Qing-Zhong Li; Xu Dong; Bo Jing; Wen-Zuo Li; Jian-Bo Cheng; Bao-An Gong; Zhi-Wu
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Article
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2009
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John Wiley and Sons
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English
⚖ 154 KB
## Abstract In this article, a new type of halogen‐bonded complex YCCX···HMY (X = Cl, Br; M = Be, Mg; Y = H, F, CH~3~) has been predicted and characterized at the MP2/aug‐cc‐pVTZ level. We named it as halogen‐hydride halogen bonding. In each YCCX···HMY complex, a halogen bond is formed between the