Molecular Structure of s-cis- and s-trans-Acrolein Determined by Microwave Spectroscopy

Article abstract of DOI:10.1021/ja00336a022

The rotational spectra of highly enriched single D-, ¹³C-, and ¹⁸O-substituted species of acrolein have been measured and analyzed over 12-58 GHz.The complete substitution structure has been determined for the less abundant s-cis conformer from the ground-state rotational constants.In addition newly assigned μ_b-type transitions for all isotopic species of the more abundant s-trans-acrolein have improved the structure of this conformer.Careful measurements of the Stark effect have resulted in an accurate determination of the electric dipole moment of the s-trans conformer.A comparison of the molecular structures of the two conformers has revealed significant differences in the central C-C bonds.