Determination of the rα structure of thiophene by combined analysis of electron diffraction, liquid crystal NMR and rotational data
1988; Elsevier BV; Volume: 178; Linguagem: Inglês
10.1016/0022-2860(88)85021-x
ISSN1872-8014
AutoresPhillip B. Liescheski, David W. H. Rankin,
Tópico(s)Molecular spectroscopy and chirality
ResumoThe molecular structure of thiophene has been determined by a joint analysis of data obtained by gas-phase electron diffraction, rotational spectroscopy and liquid crystal NMR spectroscopy. Liquid crystal NMR data which show only small effects from orientational deformation were used in this structural analysis. The study illustrates the complementary nature of information obtained by liquid crystal NMR spectroscopy and that obtained by the other techniques. Geometrical parameters (rα) for thiophene from the final joint analysis are: rC(2)H(6) = 106.88(6), rC(3)H(7) = 108.12(11), rC(2)C(3) = 137.83(15), rSC(2) = 171.36(11), rC(3)C(4) = 142.74(11) pm, ∠H(6)C(2)S= 120.24(8), ∠H(7)C(3)C(4) = 124.06(6), ∠C(5)SC(2) = 92.56(8)°.
Referência(s)