The structural parameters and rotational constants of fluorocyclobutane,c-C_(4)H_(7)F, have been obtained from ab initio calculations employing the LANL1DZ, and LANL2DZ basis sets for the equatorial conformer. The puckering angle is calculated to be 2...
The structural parameters and rotational constants of fluorocyclobutane,c-C_(4)H_(7)F, have been obtained from ab initio calculations employing the LANL1DZ, and LANL2DZ basis sets for the equatorial conformer. The puckering angle is calculated to be 24.2˚ and 17.4˚ with the LANL1DZ and LANL2DZ, respectively. The rotational constants are obtained as A=10077.98, B=4228.49, and C=3369.54MHz with the LAN1DZ and A=9928.48, B=4261.93, and C=3385.77MHz with the LANL2DZ basis set. Also with these basis sets, it is not possible to get the optimized structure of the axial form.