Journal of Molecular Structure p. 11 - 24 (1988)
Update date:2022-08-25
Topics:
Berry, Rajiv J.
Harmony, Marlin D.
Dakkouri, Marwan
Siam, Khamis
Schaefer, Lothar
With the guidance of ab initio computations, the microwave spectra of axial and equatorial conformers of cyclobutyl acetylene have been identified and assigned.Dipole moment measurements yielded μa = 0.82(1) and μc = 0.09(2) D for the equatorial conformer and μa = 0.79(1) D and μ = 0.13(2) D for the axial conformer.Relative intesity measurements showed that the equatorial conformer was more stable by 282+/-35 cm-1.By combining ab initio results with the experimental rotational constants, the structures of the two conformers have been determined with a reliability and precision greater than possible from either method alone.
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