One-bond C-C coupling constants in ethers are not primarily determined by N-sigma delocalization.

• One-bond carbon-carbon coupling constants, 1JCC, were measured for a series of cyclic and acyclic ethers. Surprisingly, the dependence on COCC dihedral angle, tau, parallels cos(tau), rather than the cos(2tau) characteristic of n-sigma* delocalization. These results complement recently calculated 1JCH values in three ethers. The variations in 1J are not primarily determined by delocalization but instead are attributed to a dipolar interaction that affects electron density, perhaps via the hybridization.

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NATURVETENSKAP  -- Kemi -- Organisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Organic Chemistry (hsv//eng)

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