With a high spectral resolution of 0.1 cm⁻¹, the (CH3)2O···HF complex's gas phase infrared absorption spectra were recorded at temperatures between 188 in the 3200–3800 cm⁻¹ range, which corresponds to the HF stretching vibration. The stretching band shape of complex 1(HF) was analyzed spectrally. Additionally, dimethyl ether isotopologues and the temperature dependency of their spectral properties were examined. The complex's vibrational characteristics were computed at the theoretical level of MP2/6-311++G(3df,3pd). Consequently, the fundamental, hot-band, and combination transitions were superimposed to produce theoretical spectra, which are in good agreement with the experimental results. Furthermore, the O···H distance, the HF bond length, and the vibrationally averaged values of the distances between the monomer centers of mass were calculated for a range of vibrational states. This study shows how nonempirical computations can be used to evaluate complex hydrogen-bonded systems' infrared absorption spectra.
| Mualliflar | U. Khujamov, R. Asfin, А.Болиев, M. Usmonov |
|---|---|
| Jurnal | Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi |
| Nashr sanasi | 2026-07-01 |
| Jild | 2 |
| Son | 3 |
| Betlar | 18-25 |
| DOI | 10.59251/2181-3973.2025.v1.138.1.3988 |
DOI: 10.59251/2181-3973.2025.v1.138.1.3988 · Maqolaning asl sahifasi
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