jo0606610_si_001.cif (15.31 kB)
Ring Inversion Dynamics of Derivatives of Thianthrene Di- and Tetraoxide§
dataset
posted on 2006-08-04, 00:00 authored by Daniele Casarini, Carmine Coluccini, Lodovico Lunazzi, Andrea MazzantiThe ring inversion barrier for thianthrene tetraoxide was
determined by making use of the variable temperature 13C
NMR spectra of the 2,7-diisopropyl derivative (ΔG⧧ = 6.5
kcal mol-1). The barrier is lower than that measured for a
trans thianthrene dioxide derivative (ΔG⧧ = 9.35 kcal mol-1).
These results agree well with ab initio theoretical predictions.