The hydrogen bonded complex cyclobutanone-water has been studied by Fourier transform molecular beam microwave spectroscopy in the frequency range 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 H218O). 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 -10.44 to –10.50 uÅ2, 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.
S.Melandri, A.Maris, B.M.Giuliano, W.Caminati (2005). Water-ketones hydrogen bonding: The rotational spectrum of cyclobutanone-water. THE JOURNAL OF CHEMICAL PHYSICS, 123, 164304-1-164304-6 [10.1063/1.2078767].
Water-ketones hydrogen bonding: The rotational spectrum of cyclobutanone-water
MELANDRI, SONIA;MARIS, ASSIMO;GIULIANO, BARBARA MICHELA;CAMINATI, WALTHER
2005
Abstract
The hydrogen bonded complex cyclobutanone-water has been studied by Fourier transform molecular beam microwave spectroscopy in the frequency range 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 H218O). 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 -10.44 to –10.50 uÅ2, 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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
