The influence of an argon environment on the structure and vibrational spectra of methanol was studied by quantum-chemical simulation methods. The DFT method in the B3LYP/cc-pVTZ approximation was used to calculate the optimal geometrical parameters and infrared absorption spectra of the methanol molecule in vacuum and in argon. It is shown that in the presence of argon, the lengths of chemical bonds, as well as the angles between them, change leading to a shift of the bands in the IR absorption spectrum. The bands of the stretching C-H and O-H vibrations are shifted to the low-frequency side, while the bands of bending vibrations are shifted to higher frequencies.
| Mualliflar | Некбоев, А.А., Куйлиев, Б.Т., Онук, M.M., Дорошенко, И.Ю., Гулмуратова, Д.Б. |
|---|---|
| Jurnal | O‘zbekiston fizika jurnali |
| Nashriyot | Ўзбекистон Республикаси Фанлар академияси |
| ISSN | 1025-8817, 2181-077X |
| Nashr sanasi | 2024-01-17 |
| Jild | 25 |
| Son | 4 |
| Til | Ingliz |
| Ilmiy soha | Fizika-matematika |
| DOI | 10.52304/.v25i4.470 |
| Indeksga qo‘shilgan | 2026-08-26 |
DOI: 10.52304/.v25i4.470 · Maqolaning asl sahifasi
метанол, матричная изоляция, аргон, квантовохимическое моделирование, спектр ИК поглощения, methanol, matrix isolation, argon, quantum-chemical simulation, IR absorption spectrum
| APA | Некбоев, А.А., Куйлиев, Б.Т., Онук, M.M., Дорошенко, И.Ю., & Гулмуратова, Д.Б. (2024). Quantum chemical modeling of the influence of the argon environment on the vibrational spectra of methanol. O‘zbekiston fizika jurnali, 25(4). https://doi.org/10.52304/.v25i4.470 |
|---|---|
| GOST (OAK) | Некбоев, А.А. va b. Quantum chemical modeling of the influence of the argon environment on the vibrational spectra of methanol // O‘zbekiston fizika jurnali. – 2024. – T. 25, № 4. – DOI: 10.52304/.v25i4.470. |
| MLA | Некбоев, А.А., Куйлиев, Б.Т., Онук, M.M., Дорошенко, И.Ю., and Гулмуратова, Д.Б. “Quantum chemical modeling of the influence of the argon environment on the vibrational spectra of methanol.” O‘zbekiston fizika jurnali, 25(4), 2024. https://doi.org/10.52304/.v25i4.470 |
| Chicago | Некбоев, А.А., Куйлиев, Б.Т., Онук, M.M., Дорошенко, И.Ю., and Гулмуратова, Д.Б. “Quantum chemical modeling of the influence of the argon environment on the vibrational spectra of methanol.” O‘zbekiston fizika jurnali, 25(4) (2024). https://doi.org/10.52304/.v25i4.470 |
| Harvard | Некбоев, А.А., Куйлиев, Б.Т., Онук, M.M., Дорошенко, И.Ю., and Гулмуратова, Д.Б (2024) ‘Quantum chemical modeling of the influence of the argon environment on the vibrational spectra of methanol’, O‘zbekiston fizika jurnali, 25(4). https://doi.org/10.52304/.v25i4.470 |
| BibTeX | @article{article2024,
title = {Quantum chemical modeling of the influence of the argon environment on the vibrational spectra of methanol},
author = {Некбоев, А.А. and Куйлиев, Б.Т. and Онук, M.M. and Дорошенко, И.Ю. and Гулмуратова, Д.Б.},
journal = {O‘zbekiston fizika jurnali},
year = {2024},
volume = {25},
number = {4},
doi = {10.52304/.v25i4.470},
url = {https://doi.org/10.52304/.v25i4.470}
} |
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