Knowledge Bank

$CH3CCBF2$, a previously unknown molecule has been prepared, and its gas phase infrared spectrum from 4000 to $250cm-1$ has been investigated in detail. Rotational structure observed in the carbon-hydrogen stretching region was explained using a free-internal rotation model, and sixteen of the twenty fundamental vibrations were assigned. By assuming reasonable values for internuclear distances and bond angles, the rotational constants were estimated to be $A=0.334cm-1,B=0.050cm-1$, and $C=0.044cm-1$ for overall rotation. From these estimated values and spectroscopic data, thermodynamic quantities for $CH3CCBF2$ were calculated. Several physical properties of the molecule have also been determined.