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.
Ring-puckering and anomeric effect in coumaran / P. Ottaviani; W. Caminati. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 405:(2005), pp. 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.
