Abstract
The millimeter-wave rotational spectrum of tertiary butyl isocyanide, (CH 3) 3CNC, was measured in the ground state and in the first excited state of the doubly degenerate CNC bending mode v β . Accurate spectroscopic constants for both states have been determined from frequency measurements spanning the range 146–333 GHz. The results are compared with those for tertiary butyl cyanide, for which improved ground state sextic distortion constants are reported. The experimental quartic centrifugal distortion constants and the Coriolis coupling constant ξ β are well reproduced by a rudimentary force field calculation. Coriolis coupling constants for bending modes of linear segments attached to symmetric top C 3 v molecules based on a tetrahedrally substituted carbon atom are compared and factors responsible for changes in their values are identified and discussed.
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