B. Bertrand et al., DETERMINATION OF CIS AND TRANS CONFIGURATIONS IN PENTAHYDROBENZOPYRANOPYRROLES BY FT-IR SPECTROSCOPY, SPECT ACT A, 52(14), 1996, pp. 1921-1923
A method of distinguishing cis and trans isomers in polyheterocycles c
ontaining beta,beta'-disubstituted pyrrolidines is described. It is ba
sed on the relative absorbance of the Bohlmann bands and the normal sy
mmetric CH stretching bands. The method is applied using FT-IR spectro
scopy in solution and coupled with gas chromatography. An interpretati
on is given, with the help of molecular computing.