Centrifugal Stretching of CClF3 and Some Other Symmetric Tops

Abstract

Recently, CCl3F and CHCl3 were each reported to have a negative DJ which varies with J. Centrifugal stretching of CClF3 was examined because of bonding similar to CCl3F. The J=1→2 through 4→5 transitions for CCl35F3 are reported; these data yield B0=3335.596 Mc, eqQ=—77.98 Mc, DJK=+2.06 kc, and for DJ the constant value +0.59 kc. A comparison of theoretical and observed constants for nine XYZ3 molecules shows fair agreement for all except CCl3F and CHCl3, the only molecules considered having three identical nuclei with quadrupole moments.