Ab initio vibrational analysis of cyclopropene, its fluoro derivatives, and their deutero analogues

A study was conducted to analyze the total geometry optimization and computation of the ab initio force fields for cyclopropene and its fluoro derivatives at the HF/6-311G level. Experimental results indicated similarities in the scale factors for hydrogenated and fluorinated compounds. Findings also showed that the presence of two F atoms and C3 increased the force constants and bond orders of the formal single carbon-carbon bonds.