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Optimized structures and vibration frequencies of the ether–water complex: a DFT and FTIR study

✍ Scribed by Zhongfeng Tang; Xiaoliu Zhou; Xiaowei Chen; Haitao Lin


Book ID
106538446
Publisher
Springer
Year
2009
Tongue
English
Weight
225 KB
Volume
20
Category
Article
ISSN
1040-0400

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Quinuclidine betaine (1-carboxymethyl-1-azabicyclo[2.2.2]octane inner salt, QNB) forms a complex with p-hydroxybenzoic acid (HBA) at the 1:1 ratio. The crystals are triclinic, space group P 1, with two symmetry non-equivalent QNBÁHBA complexes linked by a sequence of four O-HÁÁÁO hydrogen bonds into