Determination of the intercarbonyl dihedral angle of 1,2-diketones by 17O nmr
This study describes a method using 17O nmr to determine the intercarbonyl dihedral angle in a homologous series of seven 1,2-diketones. It is shown that the 17O nmr shifts of the 1,2-diketones are linearly dependent on both the electron density at the oxygen atoms and the n→π* excitation energy of the 1,2-diketo chromophore. Reduction of the overlap in the π system of the 1,2-diketo moiety leads to a gradual upfield shift of the 17O nmr signal, due to the increase in both the π-electron density at the oxygen atoms [Formula: see text] and the mean transition energy ΔE.
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2007 ◽
Vol 42
(10)
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pp. 1683-1691
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1966 ◽
Vol 16
(01/02)
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pp. 038-050
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2017 ◽
2017 ◽