The infrared study of fluoroform + methyl fluoride mixtures in argon and nitrogen matrices. Evidence of nonlinear blue-shifting complex formation
| Autor: | K.S. Rutkowski, S.M. Melikova, R.E. Asfin |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
Argon
Fluoroform Infrared chemistry.chemical_element 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Nitrogen Atomic and Molecular Physics and Optics 0104 chemical sciences Analytical Chemistry chemistry.chemical_compound chemistry Deuterium Ab initio quantum chemistry methods Physical chemistry 0210 nano-technology Instrumentation Fluoride Spectroscopy Basis set |
| Zdroj: | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 203 |
| ISSN: | 1873-3557 |
| Popis: | The FTIR spectra of fluoroform + methyl fluoride mixtures trapped in argon and nitrogen matrices are studied at T~10–30 K. Spectroscopic changes observed in the region of the CH stretching mode of fluoroform are typical for weak blue shifting H – bonds of C H⋯F type. The degeneracy lifting effect found on E – type bands of fluoroform interacted with methyl fluoride suggests the complex formation of a nonlinear form. The experimental results are confirmed by ab initio calculations of fluoroform + methyl fluoride based on the second order Moller-Plesset theory of perturbations utilizing advanced basis set. Nonlinear complexes are stabilized by the basic C H⋯F interaction and additionally by van der Waals-type C D⋯F C contacts between deuterated methyl fluoride and fluoroform. |
| Databáze: | OpenAIRE |
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