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The extraordinary electronic structure of N2S2

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Publication details

JournalJournal of the American Chemical Society
DatePublished - 10 Jul 1996
Issue number27
Volume118
Number of pages5
Pages (from-to)6472-6476
Original languageEnglish

Abstract

The electronic structure and bonding of the N2S2 molecule are studied by the spin-coupled valence bond method. Unusual features are revealed which clarify much of the hitherto puzzling properties of this molecule, leading ultimately to a simple Lewis structure: The two N atoms of the N2S2 ring bear a substantial negative charge, and the two S atoms, a complementary positive charge. There are four single N-S sigma bonds and two lone pairs of pi electrons, one pair centered about each N atom. Two further pi electrons, one from each of the S atoms, are directly coupled to each other across the ring, giving the molecule the overall character of the (SN)(x) polymer.

    Research areas

  • PHOTOELECTRON-SPECTRUM, SULFUR-NITROGEN, S2N2, ABINITIO, STATES, (SN)X, MOLECULES

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