Rotational spectra of p-Anisaldehyde (cas 123-11-5). Assignment of the planar conformers and observation of torsionally excited states

Add time:09/26/2019    Source:sciencedirect.com

Rotational spectra of p-anisaldehyde were obtained at a very low temperature in a pulsed beam Fourier transform-microwave spectrometer and over a range of much higher temperatures in a continuous wave spectrometer. Two species with ground state rotational constants A = 4661.95(4) MHz, B=698.3951(1) MHz and C=610.0577(1) MHz, and A=4160.64(2) MHz, B=717.8407(1) MHz and C=614.8932(1) MHz, were observed in the beam and are consistent with planar anti and syn conformers, respectively. Relative intensities of the rotational transitions indicate that the two planar conformers have nearly equal energies. The anti and syn conformers produce low-resolution microwave (LRMW) band series with B+C values of 1311.2(5) MHz and 1334.9(3) MHz, respectively. A third band series with an intermediate B+C value, 1323.2(2) MHz, is observed in the LRMW spectrum of p-anisaldehyde. At 298 K the third series is the most intense spectral feature and its relative intensity doubles with a 50° increase in temperature. This temperature dependence precludes assigning the third series to a third conformational species. This series may originate from many weakly bound and/or freely rotating torsional satellites with similar rotational constants.

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