10min:

L. EVANGELISTI, G. FENG AND W. CAMINATI, Dipartimento di Chimica "G. Ciamician" dell'Università, Via Selmi 2, I-40126 Bologna, Italy; P. ECIJA, E. J. COCINERO AND F. CASTANO, Departamento de Quimica Fisica, Facultad de Ciencia y Tecnologia, Universidad del Pais Vasco (UPV-EHU), Apartado 644, E-48080 Bilbao, Spain.

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The pure rotational spectra of CF₃³⁵Cl-H₂O, CF₃³⁷Cl-H₂O, CF₃³⁵Cl-H₂¹⁸O, CF₃³⁵Cl-OHD, CF₃³⁵Cl-D₂O isotopologues have been investigated by pulsed supersonic-jet FT-microwave spectroscopy. We assigned the m ~=~0 and m ~=~1 (for the first 2 isotopologues) states and the spectra, for all, are characteristic of a symmetric top of evenly spaced band. A substitution analysis was made for the m = 0 state of the dimers with H₂¹⁸O and D₂O. Ab initio calculation (MP2 level of electron correlation and 6-311++G** basis set) have been carried out in order to obtain information about the structure and relative stability. The interaction between the subunits occurs via C-Cl O(H₂O) halogen bond.