Calculation and analysis of spectroscopic and isotopic parameters of the (CH₃)₂O···HF complex

U. Khujamov, R. Asfin, А.Болиев, M. Usmonov

Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi · 2026-yil

Annotatsiya

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.

Maqola ma’lumotlari
MualliflarU. Khujamov, R. Asfin, А.Болиев, M. Usmonov
JurnalSamarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi
NashriyotСамарқанд давлат университети
ISSN2091-5446, 2181-1296
Nashr sanasi2026-07-01
Jild2
Son3
Betlar18-25
TilIngliz
Ilmiy sohaKimyo
DOI10.59251/2181-3973.2025.v1.138.1.3988
Indeksga qo‘shilgan2026-09-02

DOI: 10.59251/2181-3973.2025.v1.138.1.3988 · Maqolaning asl sahifasi

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Iqtibos keltirish

APAU. Khujamov, R. Asfin, А.Болиев, & M. Usmonov (2026). CALCULATION AND ANALYSIS OF SPECTROSCOPIC AND ISOTOPIC PARAMETERS OF THE (CH₃)₂O···HF COMPLEX. Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 2(3), 18-25. https://doi.org/10.59251/2181-3973.2025.v1.138.1.3988
GOST (OAK)U. Khujamov va b. CALCULATION AND ANALYSIS OF SPECTROSCOPIC AND ISOTOPIC PARAMETERS OF THE (CH₃)₂O···HF COMPLEX // Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi. – 2026. – T. 2, № 3. – P. 18-25. – DOI: 10.59251/2181-3973.2025.v1.138.1.3988.
MLAU. Khujamov, R. Asfin, А.Болиев, and M. Usmonov. “CALCULATION AND ANALYSIS OF SPECTROSCOPIC AND ISOTOPIC PARAMETERS OF THE (CH₃)₂O···HF COMPLEX.” Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 2(3), 18-25, 2026. https://doi.org/10.59251/2181-3973.2025.v1.138.1.3988
ChicagoU. Khujamov, R. Asfin, А.Болиев, and M. Usmonov. “CALCULATION AND ANALYSIS OF SPECTROSCOPIC AND ISOTOPIC PARAMETERS OF THE (CH₃)₂O···HF COMPLEX.” Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 2(3), 18-25 (2026). https://doi.org/10.59251/2181-3973.2025.v1.138.1.3988
HarvardU. Khujamov, R. Asfin, А.Болиев, and M. Usmonov (2026) ‘CALCULATION AND ANALYSIS OF SPECTROSCOPIC AND ISOTOPIC PARAMETERS OF THE (CH₃)₂O···HF COMPLEX’, Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 2(3), 18-25. https://doi.org/10.59251/2181-3973.2025.v1.138.1.3988
BibTeX
@article{ukhujamov2026,
  title = {CALCULATION AND ANALYSIS OF SPECTROSCOPIC AND ISOTOPIC PARAMETERS OF THE (CH₃)₂O···HF COMPLEX},
  author = {U. Khujamov and R. Asfin and А.Болиев and M. Usmonov},
  journal = {Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi},
  year = {2026},
  volume = {2},
  number = {3},
  pages = {18-25},
  doi = {10.59251/2181-3973.2025.v1.138.1.3988},
  url = {https://doi.org/10.59251/2181-3973.2025.v1.138.1.3988}
}

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