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)]
Keywords: Nuclear magnetic resonance (carbon-13 ; in allyl- and pentadienyl metal compds.); Spin (carbon-13-hydrogen ; in allyl- and pentadienyl metal compds. ; carbon-hydrogen bond hybridization in relation to); Electron configuration (in allyl- and pentadienyl met ; carbon NMR alkylmagnesium bromide; conformation spin coupling NMR; lithium alkyl electron density; sodium alkyl electron density; potassium alkyl electron density
CAN 97:55854 29-2 Organometallic and Organometalloidal Compounds Inst. Chim. Org.,Univ. Lausanne,Lausanne,Switz. Journal 0044-8249 written in German. 1730-25-2; 2521-40-6; 3052-45-7; 7329-38-6; 11097-53-3; 51391-25-4; 57136-96-6; 59304-72-2; 60647-48-5 Role: PRP (Properties) (carbon-13 NMR of, conformation and carbon-hydrogen bond hybridization in relation to)
Record created on 2006-03-03, modified on 2016-08-08