Croatica Chemica Acta, Vol. 57 No. 5, 1984.
Original scientific paper
Nonbonded Bond Orders, Molecular Conformations, and Relative Stabilities of Sulfur-Nitrogen Rings and Chains
Benjamin M. Gimarc
; Department of Chemistry, University of South Carolina, Columbia, South Carolina 29208, U.S.A.
Abstract
In electron-rich pi-electron systems such as the planar sulfur-
nitrogen rings and chains, pi-bond orders between nonbonded
atoms are often large and positive. These quantities can be used to
rationalize the observed conformations of such structures and
assess the relative stabilities of rings versus chains. For chains, the
end-end nonbonded bond order is a convenient measure of the
extra stabilization attainable on ring formation. Qualitative molecular
orbital theory can be used to explain the sizes of the nonbonded
bond orders and to understand trends through series of
compounds.
Keywords
Hrčak ID:
194067
URI
Publication date:
14.1.1985.
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