Organic magnetic resonance

Barriers to internal rotation in 1, 3, 5??trineopentylbenzenes: 10—13C and 19F NMR band shape studies and force field calculations

S Andersson, T Drakenberg

Index: Andersson, Sven; Drakenberg, Torbjoern Organic Magnetic Resonance, 1983 , vol. 21, # 10 p. 602 - 615

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Abstract

Abstract 1, 3, 5-Trineopentylbenzenes (TNB) with one or two benzylic substituents in each neopentyl group were synthesized. The substituents were F, Cl, Br, J, OCH 3, OCOCH 3, OSi (CH 3) 3 and CH 3 and, in cases of disubstitution, F, Cl, Br, CH 3 and Cl, CH 3 and Br and [BOND] SCH 2 CH 2 S [BOND]. Barriers to internal C sp3 [BOND] C sp2 (aryl) and C sp3 [BOND] C sp3 rotation were estimated by 13 C and 19 F NMR band shape methods. ...