The structure of 1,6,4aλ4-trithiapentalene and 1,6-dioxa-6aλ4-thiapentalene studied by means of nuclear magnetic resonance spectroscopy in nematic phase and in isotropic solution

Abstract

1,6,6aλ⁴-Trithiapentalene and 1,6-dioxa-6aλ⁴-thiapentalene have, by means of ¹H n.m.r. spectroscopy in a nematic phase, been shown to possess C_2ν symmetry in solution. Quantitative structural parameters have been obtained for both compounds. A detailed structure of 1,6-dioxa-6aλ⁴-thiapentalene has been obtained by combination of the n.m.r. data with data from X-ray and microwave studies. The ¹H and ¹³C n.m.r. spectral data of the latter compound are reported and discussed.