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The structure, properties, and nature of C–Br⋯F halogen bond involving HArF: Substitution, hybridization, and nonadditivity

✍ Scribed by Qing-Zhong Li; Ran Li; Shu-Na Jiang; Wen-Zuo Li; Jian-Bo Cheng

Book ID
113711602
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
382 KB
Volume
135
Category
Article
ISSN
0022-1139

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The structure, properties, and nature of HArF-HOX (X = F, Cl, Br) complex: An ab initio study and an unusual short hydrogen bond
✍ Qing-Zhong Li; Jun-Ling Zhao; Bo Jing; Ran Li; Wen-Zuo Li; Jian-Bo Cheng 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 159 KB 👁 2 views

## Abstract The structure and properties (geometric, energetic, electronic, spectroscopic, and thermodynamic properties) of HArF‐HOX (X = F, Cl, Br) complex have been investigated at the MP2/aug‐__cc__‐pVTZ level. Three types of complexes are formed through a hydrogen bond or a halogen bond. The HA