Research Article

Millimeter-Wave Rotational Spectra of trans-Acrolein (Propenal) (CH2CHCOH): A DC Discharge Product of Allyl Alcohol (CH2CHCH2OH) Vapor and DFT Calculation

Table 4

Comparison of the observed inertia defect ( Δ / 𝑢 Å 2 ) values for the ground and excited torsional state (v) of trans-propenal with some other molecules.

MoleculesInertia defect ( Δ / 𝑢 Å 2 ) values
𝑣 = 0 𝑣 = 1 𝑣 = 2 𝑣 = 3

𝑇 rans-propenalj−0.018−0.702−1.212−1.861
(CH2CHCHO)
o-cis 3-fluorobenzaldehydek−0.078−0.988−1.876−2.726
(C6H5FCOH)
Nitrobenzenel−0.481−1.863−3.186−4.470
(C6H5NO2)
Benzoyl fluoridem−0.325−1.528−2.765−3.963
(C6H5COF)
2-Fluorpstyrenen−1.215−2.689−3.341−4.380
(C6H4FC2H3)

jThis work, k[17], l[18], m[19], n[20].