Cu-catalyzed addition of azides to iodoalkynes

Inputs, outputs and orbitals for all molecules described inPedro 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, 7497-7507Each file is labelled according to the following table, depending on the specific iodoalkyne/azide combination presentA CH3-CC-I and HN3B CH3-CC-I and CH3-N3C CH3-CC-I and PhN3D CH3-CC-I and p-MePhN3E CF3-CC-I and HN3F CH3CH2-CC-I and HN3G Ph-CC-I and HN3H CF3-CC-I and CH3-N3I CH3CH2-CC-I and CH3-N3J Ph-CC-I and CH3-N3K CF3-CC-I and PhN3L CH3CH2-CC-I and PhN3M Ph-CC-I and PhN3N CF3-CC-I and p-MePhN3O CH3CH2-CC-I and p-MePhN3P Ph-CC-I and p-MePhN3Q CH3-CC-I and CF3N3R CF3-CC-I and CF3N3S CH3CH2-CC-I and CF3N3T Ph-CC-I and CF3N3U CH3-CC-I and p-NO2-PhN3V CF3-CC-I and p-NO2-PhN3W CH3CH2-CC-I and p-NO2-PhN3X Ph-CC-I and p-NO2-PhN3