Vibrational coupling effects and potential functions for cis - and trans -1,2-difluorodiimide and cis - and trans -1,2-difluoroethylene

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Abstract
Separate six parameter internal valence force fields were determined for cis‐ and trans‐1,2‐difluorodiimide (F–N=N–F), using a least‐squares procedure. For the cis‐ and trans‐1,2‐difluoroethylenes (F–CH=CH–F), a 17 parameter overlay internal valence force field was fitted to the in‐plane vibrational frequencies, and separate four parameter general valence force fields were calculated for the out‐of‐plane vibrations. For both sets of molecules, potential energy distributions are reported and discussed, with particular reference to the unusual couplings between the F–X stretching and F–X=X bending coordinates. These couplings are investigated in detail, especially for the 1,2‐difluorodiimides, and it is concluded that they are predominately due to kinetic effects.

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