Abstract:In this theoretical survey, we inspect substituent effects of two fused benzene, pyrrole, phosphole, furan, and thiophene rings on the stability, polarity, charge distribution, nucleophilicity, electrophilicity, and aromaticity of singlet (s) and triplet (t) silylenes, at density functional theory (DFT). Singlet silylenes as ground state exhibit more stability than their corresponding triplet congeners. In contrast to previous reports on Hammick carbenes, here higher thermodynamic stability (singlet‐triplet en… Show more
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