Infrared spectrum of trans-acrolein

High resolution analysis of the ν12 and ν17 fundamental bands of acrolein, CH2CHCHO, in the 600cm−1 region

“…3 as a gap at 563.95 cm À1 , though it is masked by the general congestion in this region. This b-type Coriolis interaction between m 12 and m 17 was discussed by Hamada et al [14]. In retrospect, their interpretation is mostly correct, but their description of a ''split'' in the m 17 r Q 9 branch is not supported by our observations (see Fig.…”

“…2 of Ref. [14]. Our observed spectrum, with much higher resolution, was tremendously dense and overlapped, with ''wall-towall'' lines.…”

“…Our observed spectrum, with much higher resolution, was tremendously dense and overlapped, with ''wall-towall'' lines. Fortunately for us, Hamada et al [14] had already assigned much of the K a -structure of the m 17 fundamental, particularly in the region above about 600 cm À1 which is relatively clear and open. So we could immediately begin by assigning r Q Ka ðJ Þ and r R Ka ðJ Þ transitions of m 17 with good confidence for K a % 4-7 in the range of J-values where asymmetry doubling was negligible.…”

“…A fairly comprehensive study of the pure rotational microwave spectrum of acrolein in its ground vibrational state was reported in 1975 by Winnewisser et al [5], building on earlier microwave results [6,7]. Vibrational analyses have been made on the basis of electronic spectra [8][9][10][11][12] and mediumresolution infrared spectra [13], and definitive results are given in a paper by Hamada et al [14] which contains references to earlier work on acrolein. An extensive lower resolution (0.3 cm À1 ) study of the far-infrared (100-400 cm À1 ) spectrum of acrolein by Cole and Green [15] is also directly relevant to the present work.…”

“…In the present paper, we describe a detailed analysis of the Coriolis-coupled m 12 and m 17 fundamental bands of CH 2 CHCHO in the 550-660 cm À1 region. m 17 is the vinyl CH out-of-plane wagging mode, which gives rise to a strong c-type band centered at about 593 cm À1 , and m 12 is the CCO bending mode, which gives rise to a weaker a-type band at about 564 cm À1 [14]. The analysis includes almost 2000 transitions with values of (J 0 , K 0 a ) ranging up to (45,20) for m 17 and (37, 16) for m 12 .…”