We report here the measurements of the rotational spectra of the main, O-d and four 13C species of methyl-lactate. They have been obtained by free jet millimeter-wave absorption and molecular beam Fourier transform microwave spectroscopy. Only lines of the most stable conformer, the one with the hydroxyl group acting as a proton donor to the carbonylic group oxygen, have been observed. The V3 barrier to internal rotation of the CH3-O methyl group has been determined to be 4.84(2) kJ mol-1. The experimental conformational and structural information are compared to those given by MP2/6-311++G(d,p) calculations.
P.Ottaviani, B.Velino, W.Caminati (2006). Jet cooled rotational spectrum of methyl lactate. CHEMICAL PHYSICS LETTERS, 428, 236-240 [10.1016/j.cplett.2006.07.026].
Jet cooled rotational spectrum of methyl lactate
OTTAVIANI, PAOLO;VELINO, BIAGIO;CAMINATI, WALTHER
2006
Abstract
We report here the measurements of the rotational spectra of the main, O-d and four 13C species of methyl-lactate. They have been obtained by free jet millimeter-wave absorption and molecular beam Fourier transform microwave spectroscopy. Only lines of the most stable conformer, the one with the hydroxyl group acting as a proton donor to the carbonylic group oxygen, have been observed. The V3 barrier to internal rotation of the CH3-O methyl group has been determined to be 4.84(2) kJ mol-1. The experimental conformational and structural information are compared to those given by MP2/6-311++G(d,p) calculations.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
