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Journal article

Nonplanar structures of allyl- and pentadienylmetal compounds: folding for better charge distribution?

The 2J (13C, H), a measure of bond angle in CH2:CHCH2R (R = MgBr, Li, Na, K), (Z)- and (E)-MeCH:CHCH2K, CH2:CHCH:CHCH2R (R = Li, K), or (E)-hexadienyllithium, is used to assign the % s character in the C-H bonds. This and the 13C NMR chem. shifts indicate conformations in which the cations are outside of the hydrocarbon planes and in which they participate in nonbonding interactions with every other (odd numbered) C atoms. The electrostatics, based on the electron d. in chains, are discussed. [on SciFinder (R)]

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