Knowledge Bank

A vibrational analysis of both $HBF2$ and $DBF2$ has been made utilizing the Green's function formalism. The force field for these molecules has been determined from the observed data. The eigenvector equations derived within the same formalism have been solved and the resulting normal coordinates will be presented. Agreement between observed and calculated frequencies was good. The observed fundamentals are presented in the following order $(cm-1:H11BF2,D11BF2,D11BF2$, and $D10BF2:\nu 1$ (BF symmetric stretch), $1164,1193,1126,1147;\nu 2$ (BH and BD stretch), $2621,2621,1960,1960;\nu 3$ (BH symmetric deformation) $541.5,\dots ,536,\dots ;\nu 4$ (BF asymmetric deformation), 1451 (estimated), 1506 (estimated), $1394,\dots ;\nu 5$ (BH and BD in-plane deformation), $1402\dots ,1195,1199;\nu 6$ (out-of-plane deformation), 924, 945, 787, 806.5. Blanks refer to unobserved bands due to interference from $BF3$. Band centers for $\nu 1,\nu 2,\nu 3,\nu 6(H11BF2)$ and $\nu 1,\nu 2(D11BF2)$ were determined from an analysis of their vibrational-rotational spectrum. The remaining band centers were estimated.