In this study, intermolecular interactions in the para-xуlene-chloroform system were investigated using Raman spectroscopy and quantum-chemical calculations based on density functional theory (DFT). Analysis of the Raman spectra revealed frequency shifts and intensity changes in several vibrational bands of para-xylene (p-xylene) upon the addition of chloroform, indicating the presence of weak intermolecular interactions. Molecular electrostatic potential (MEP) analysis identified electron-rich and electron-deficient regions responsible for intermolecular interactions. HOMO-LUMO analysis demonstrated the redistribution of electron density during complex formation and revealed changes in the electronic properties of the system. Furthermore, Mulliken charge distribution analysis confirmed partial charge transfer between the atoms involved in the intermolecular interactions. The good agreement between the experimental observations and theoretical calculations provides a reliable description of the intermolecular interaction mechanism in the para-xylene-hloroformsystem.
| Mualliflar | Shoimov, Murodjon |
|---|---|
| Jurnal | O‘zbekiston fizika jurnali |
| Nashriyot | Ўзбекистон Республикаси Фанлар академияси |
| ISSN | 1025-8817, 2181-077X |
| Nashr sanasi | 2026-10-22 |
| Jild | 28 |
| Son | 3 |
| Til | Ingliz |
| Ilmiy soha | Fizika-matematika |
| DOI | 10.52304/.v28i3.667 |
| Indeksga qo‘shilgan | 2026-10-23 |
DOI: 10.52304/.v28i3.667 · Maqolaning asl sahifasi
пара-ксилол, хлороформ, Раман-спектроскопия, DFT, MEP, граничные молекулярные орбитали (HOMO-LUMO), распределение зарядов по Малликену, межмолекулярные взаимодействия, p-xylene, chloroform, Raman spectroscopy, Density functional theory (DFT), Molecular electrostatic potential (MEP), HOMO–LUMO, Mulliken charge distribution, intermolecular interactions
| APA | Shoimov, Murodjon (2026). Analysis of weak intermolecular interactions in the p-xylene- chloroform system using Raman spectroscopy and quantumchemical calculations. O‘zbekiston fizika jurnali, 28(3). https://doi.org/10.52304/.v28i3.667 |
|---|---|
| GOST (OAK) | Shoimov, Murodjon Analysis of weak intermolecular interactions in the p-xylene- chloroform system using Raman spectroscopy and quantumchemical calculations // O‘zbekiston fizika jurnali. – 2026. – T. 28, № 3. – DOI: 10.52304/.v28i3.667. |
| MLA | Shoimov, Murodjon. “Analysis of weak intermolecular interactions in the p-xylene- chloroform system using Raman spectroscopy and quantumchemical calculations.” O‘zbekiston fizika jurnali, 28(3), 2026. https://doi.org/10.52304/.v28i3.667 |
| Chicago | Shoimov, Murodjon. “Analysis of weak intermolecular interactions in the p-xylene- chloroform system using Raman spectroscopy and quantumchemical calculations.” O‘zbekiston fizika jurnali, 28(3) (2026). https://doi.org/10.52304/.v28i3.667 |
| Harvard | Shoimov, Murodjon (2026) ‘Analysis of weak intermolecular interactions in the p-xylene- chloroform system using Raman spectroscopy and quantumchemical calculations’, O‘zbekiston fizika jurnali, 28(3). https://doi.org/10.52304/.v28i3.667 |
| BibTeX | @article{shoimovmurodjon2026,
title = {Analysis of weak intermolecular interactions in the p-xylene- chloroform system using Raman spectroscopy and quantumchemical calculations},
author = {Shoimov, Murodjon},
journal = {O‘zbekiston fizika jurnali},
year = {2026},
volume = {28},
number = {3},
doi = {10.52304/.v28i3.667},
url = {https://doi.org/10.52304/.v28i3.667}
} |
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