354
Inorg. Chem. 1998, 37, 354-359
Chalcogen Diimides: Relative Stabilities of Monomeric and Dimeric Structures, [E(NMe)2]n (E ) S, Se, Te; n ) 1, 2) Nicole Sandblom, Tom Ziegler,* and Tristram Chivers*,† Department of Chemistry, The University of Calgary, Calgary, Alberta, Canada T2N 1N4 ReceiVed June 4, 1997
Density functional theory (DFT) calculations have been used to investigate the process of dimerization for the three chalcogen diimides MeNdEdNMe (E ) S, Se, Te). DFT calculations for these monomers reveal that the energies of the syn,syn and syn, anti isomers differ by
