Average orientation of water in CH2F2⋯H2O from the (17)O quadrupole effects in the rotational spectrum of CH2F2⋯H2(17)O.
The rotational spectrum of the CH2F2⋯H2(17)O 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 (17)O 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°.
Dipartimento di Chimica "G. Ciamician" dell'Università, Via Selmi 2, I-40126 Bologna, Italy.
Luca
L
Evangelisti
Dipartimento di Chimica "G. Ciamician" dell'Università, Via Selmi 2, I-40126 Bologna, Italy.
Gang
G
Feng
Dipartimento di Chimica "G. Ciamician" dell'Università, Via Selmi 2, I-40126 Bologna, Italy.
Qian
Q
Gou
Dipartimento di Chimica "G. Ciamician" dell'Università, Via Selmi 2, I-40126 Bologna, Italy.
Gloria
G
Guidetti
Dipartimento di Chimica "G. Ciamician" dell'Università, Via Selmi 2, I-40126 Bologna, Italy. Electronic address: walther.caminati@unibo.it.
Walther
W
Caminati
D005583:Fourier Analysis; D006845:Hydrocarbons, Fluorinated / Q000737:chemistry*; D008872:Microwaves; D008956:Models, Chemical; D008958:Models, Molecular; D010103:Oxygen Isotopes / Q000737:chemistry; D013057:Spectrum Analysis / Q000379:methods*; D014867:Water / Q000737:chemistry
D006845:Hydrocarbons, Fluorinated; D010103:Oxygen Isotopes; D014867:Water; C102075:difluoromethane
Enriched H(2)(17)O; Quadrupole coupling constants; Rotational spectra; Tunneling motions; Water orientation