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Cu+-catalyzed addition of electron-deficient azides to iodoalkynes

Version 4 2017-09-19, 09:43
Version 3 2017-09-19, 09:17
Version 2 2017-09-19, 09:15
Version 1 2017-09-19, 09:10
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posted on 2017-09-19, 09:43 authored by Pedro SilvaPedro Silva
Inputs, outputs and orbitals for the species present in the Cu+-catalyzed addition of electron-deficient azides to iodoalkynes, discussed in:

Pedro J. Silva and Carlos E. P. Bernardo (2018), Influence of Alkyne and Azide Substituents on the Choice of the Reaction Mechanism of the Cu+-Catalyzed Addition of Azides to Iodoalkynes J. Phys. Chem. A, 122, 7497-7507

Other data reported in the same paper have been uploaded to
https://doi.org/10.6084/m9.figshare.5035682


Each file is labelled according to the following table, depending on the specific iodoalkyne/azide combination present

Q CH3-CC-I and CF3N3
R CF3-CC-I and CF3N3
S CH3CH2-CC-I and CF3N3
T Ph-CC-I and CF3N3
U CH3-CC-I and p-NO2-PhN3
V CF3-CC-I and p-NO2-PhN3
W CH3CH2-CC-I and p-NO2-PhN3
X Ph-CC-I and p-NO2-PhN3

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