Knowledge Bank

Isopropyl formate and four isotopically deuterated derivatives have been synthesized. The vapor, liquid, and solid (amorphous and crystalline) infrared $(25.10,000cm-1)$ and Raman $(10,4000cm-1)$ spectra have been recorded and interpreted for all five compounds with attention given to the presence of one or more conformers. Low temperature mid-infrared polarization experiments were used to facilitate assignments of various bonds. Previous investigations have suggested that the dominant conformer has a structure in which the COCH torsional angle is approximately 40. Using asymmetric top theory, the vapor phase contours for the carbony1 stretch of the $d0$ compound and the isolated Lsopropy1 C-H stretch of the $d7$ compound were simulated. These contours were compared to experiment in order to determine the identity of the conformers present in the vapor phase.