Mechanistic DFT Study of 1,3-Dipolar Cycloadditions of Azides with Guanidine
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DOI: 10.3390/molecules28052342
Abstract: Density functional calculations SMD(chloroform)//B3LYP/6-311+G(2d,p) were employed in the computational study of 1,3-dipolar cycloadditions of azides with guanidine. The formation of two regioisomeric tetrazoles and their rearrangement to cyclic aziridines and open-chain guanidine products were modeled.… read more here.
Keywords: azides guanidine; cycloadditions azides; study dipolar; nitrogen ... See more keywords