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A theoretical reexamination of carbanions adjacent to sulfoxide, sulfone and sulfonium centres

From National Research Council Canada

DOIResolve DOI: https://doi.org/10.1016/S0040-4039(00)88264-7
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Abstract
The structures and proton affinities of CH2SR2 (R = H,CH3), -H2SOR (R = H,CH3) and -CH2SO2R (R = H,CH3) have been found at the 3-21G* (d-orbitals on sulfur) and 3-21G (no d-orbitals on sulfur) levels, using gradient optimization procedures. d-Orbital effects are important in these optimized structures. The factors leading to the structures now found, and the role of the d-orbitals, have been evaluated by quantitative PMO analyses of the wavefunctions.
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  • Tetrahedron Letters 24, no. 38: 4071–4074.
LanguageEnglish
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NPARC number12328279
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Record identifier1a35f1fd-da97-4e3a-9d18-b3dfe764e65b
Record created2009-09-10
Record modified2020-03-13
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