Hartree Fock instabilities of sulfur-nitrogen ring systems: S2N2 |
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Authors: | W. G. Laidlaw,M. B nard |
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Affiliation: | W. G. Laidlaw,M. Bénard |
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Abstract: | The Hartree-Fock instablities of S2N2 are reported and compared with those of S3N and S4N. These unsaturated sulfur nitrogen planar rings are π electron rich and although the symmetry adapted HF solutions are singlet stable at the experimental bond lengths they become unstable with only a very modest increase in bond length. The broken symmetry solutions for S2N3, S3N, and S4N are of planar C2v type with one of the nitrogens stripped of its π electrons, producing a π hole. |
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