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Formation and reactivity of a strongly hydrogen bonded fluoride-4-cyanophenol complex

✍ Scribed by James H. Clark; Nicholas D.S. Owen


Book ID
104227270
Publisher
Elsevier Science
Year
1987
Tongue
French
Weight
213 KB
Volume
28
Category
Article
ISSN
0040-4039

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✦ Synopsis


%nnq -Potassium fluoride forms a thermal& stable stronqZU hudroqen bonded compZex with &cyyanophenoZ. The complex is a very useful substrate for the formation of biaryi! ethers via denitration or dechlorination.


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Ab initio calculations have been carried out on diacetylene-HF complexes both at the SCF and second-order Moller-Plesset level using a 6-31 + + G(d, p) basis set to determine the structures and association energies of the various possible forms of the complexes. The non-symmetric ~r complex has been