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  • Title: Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 7--spiroalkanes.
    Author: Krivdin LB.
    Journal: Magn Reson Chem; 2004 Jun; 42(6):500-11. PubMed ID: 15137043.
    Abstract:
    Carbon-carbon spin-spin coupling constants were calculated at the SOPPA level for a series of seven classical spiroalkanes, spiro[2.2]pentane, spiro[2.3]hexane, spiro[2.4]heptane, spiro[2.5]octane, spiro[3.3]heptane, spiro[4.4]nonane and spiro[5.5]undecane, with special focus upon couplings involving and/or across spiro carbons. Many interesting structural trends were investigated originating in specific geometries and unusual bonding environments at the spiro carbon.
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