Intrinsic Bond Orbital Analysis of a Strain-Promoted Alkyne Azide Cycloaddition

IRC calculated at M06-2X/6-311+g(d,p) level of theory using G09. IBO (exponent 2) calculated (PBE/def2-TZVP) and visualized using IboView. Shown are two intrinsic bond orbitals that form the new sigma bonds in the product.

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2017/02/17 ClickChemist   Share on Facebook

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