Average orientation of water in CH2F2⋯H2O from the 17O quadrupole effects in the rotational spectrum of CH2F2⋯H217O

• The values of χaa, χbb, χcc give the average orientation of water in CH2F2–H217O.
• Water undergoes a low V2 barrier internal rotation in CH2F2–H2O.
• Sizing V2 from 0+/0− shits of rotational constants is discussed.

The rotational spectrum of the CH2F2⋯H217O adduct has been measured in the 6.5–18.5 GHz range using a pulsed jet Fourier-transform microwave spectrometer. The experimental values of the 17O quadrupole coupling constants have been determined to be χaa = −3.853(6), χbb = −3.259(1) and χcc = 7.112(9) MHz, respectively. These data correspond to an average value of the angle between the water plane and the FCF plane of about 23°.

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