The rotational spectrum of coumaran has been investigated by free-jet absorption millimeter-wave spectroscopy. All transitions are split into two component lines due to the low barrier to ring-puckering of the five-membered ring. The ground state splitting [ ∆E01 = 93682.02(2) MHz, 3.124895(1) cm-1] is much larger than the value inferred from the infrared spectrum [0.7 cm-1, E.Bondoc, T.Klots, J.Laane, J.Phys.Chem. A 104, 275 (2000)]. Such a discrepancy affects the estimate of the anomeric effect, as discussed in the text.
P. Ottaviani, W. Caminati (2005). Ring-puckering and anomeric effect in coumaran. CHEMICAL PHYSICS LETTERS, 405, 68-72 [10.1016/j.cplett.2005.02.014].
Ring-puckering and anomeric effect in coumaran
OTTAVIANI, PAOLO;CAMINATI, WALTHER
2005
Abstract
The rotational spectrum of coumaran has been investigated by free-jet absorption millimeter-wave spectroscopy. All transitions are split into two component lines due to the low barrier to ring-puckering of the five-membered ring. The ground state splitting [ ∆E01 = 93682.02(2) MHz, 3.124895(1) cm-1] is much larger than the value inferred from the infrared spectrum [0.7 cm-1, E.Bondoc, T.Klots, J.Laane, J.Phys.Chem. A 104, 275 (2000)]. Such a discrepancy affects the estimate of the anomeric effect, as discussed in the text.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
