Average structures of butadiene, acrolein, and glyoxal determined by gas electron diffraction and spectroscopy

Abstract The structures of butadiene, acrolein, and glyoxal have been investigated with the main purpose of studying the variation in the lengths of the central C-C bonds. In order to derive as reliable structures as possible, the electron diffraction intensities obtained in the present study and the rotational constants for several isotopic species reported in the literature have been analyzed by a least-squares method which combines them as joint observables. The method is based on the conversion of the electron-diffraction r a distances into the r ° α distances and that of the effective ground-state rotational constants into the average rotational constants.

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