Water-ketones hydrogen bonding: the rotational spectrum of cyclobutanone-water.
The hydrogen-bonded complex cyclobutanone-water has been studied by Fourier-transform molecular-beam microwave spectroscopy in the frequency range of 6-18.5 GHz. The rotational spectra of ten isotopomers have been assigned and measured. Five of them have been obtained from different isotopic species (or configurations) of water (H2O, D2O, DOH, HOD, and H2 18O). The remaining five correspond to the four singly substituted 13C and to the 18O species of cyclobutanone, observed in natural abundance. For all species the inertial defect is in the range from -10.44 to -10.50 uA2, showing that the cyclobutanone frame is effectively planar and that the water molecule is coplanar to this frame. The hydrogen bond, almost linear, is formed between a water proton and one of the lone pairs of the cyclobutanone oxygen.
Melandri
Sonia
S
Dipartimento di Chimica, G. Ciamician dell'Università, Via Selmi 2, I-40126 Bologna, Italy.
Maris
Assimo
A
Giuliano
B Michela
BM
Caminati
Walther
W