Infrared diode laser spectroscopic investigation of four C–H stretching vibrational modes of propylene oxide

• Published in: Chemical physics letters 2010-07, Vol.494 (1), p.14-20
• Main Authors: Sunahori, Fumie X., Su, Zheng, Kang, Cheolhwa, Xu, Yunjie
• Format: Article
• Language: English
• ISSN: 0009-2614; 1873-4448
• DOI: 10.1016/j.cplett.2010.05.072

[Display omitted] ►High resolution spectra of the C–H stretching bands of propylene oxide, a basic chiral building unit, have been detected and analyzed. ►Significant perturbations have been observed and discussed. The high resolution ro-vibrational spectra of propylene oxide have been recorded for the first time in the C–H stretching region using a rapid scan infrared laser spectrometer equipped with an astigmatic multipass cell. Detailed analyses of the three C–H bands centered at 2942 and 2975 cm −1 reveal that there are significant perturbations in the methyl C–H symmetric and the two near-degenerate asymmetric fundamental bands. Low resolution Fourier transform infrared spectra of propylene oxide have also been measured with a static gas sample and under supersonic jet conditions. The MP2/6-311++G(d,p) harmonic and anharmonic frequency calculations have been performed to aid the C–H stretching band assignment.