Studies of HnFn Oligomeric Species.
Abstract
Infrared matrix-isolation spectra of HF and HF/H2O mixtures suspended in solid argon have been obtained in the range 1/400-4000 cm. Bands attributed to HF and to HF-H2O oligomers were observed. HF stretching modes were assigned to dimer, chain trimer, cyclic tetramer, and cyclic hexamer of HF. Some of the FH...F angle deformation modes were observed for these molecules. The oligomers are formed during matrix deposition and the chain trimers appear to be matrix stabilized in a double substitution site in argon. Application of a nonideal gas model to the literature vapor phase data on HF suggests that the dimer and the hexamer are the dominant vapor phase oligomers, with the hexamer most important near saturation vapor pressures. The tetramer is the next most important vapor phase oligomer, but it contributes only weakly to the vapor phase properties. Minimal basis set STO-3G computations on chain and cyclic HF trimer and tetramer molecules suggest the marked increase in stability that arises on catenation or (unstrained) cyclization of HF systems. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Jul 27, 1979
- Accession Number
- ADA074177
Entities
People
- Richard L. Redington
Organizations
- Texas Tech University Department of Chemistry and Biochemistry