Raman spectra of pure ethyl acetoacetate were obtained at room temperature and atmospheric pressure. The experimental and computational Raman spectra were compared, and PED (Potential Energy Distribution) analyses were performed. Quantum-chemical calculations were used to analyze the various cluster formations of ethyl acetoacetate with chloroform. These interactions were confirmed by semi-empirical calculations, which also studied the interactions and spectral manifestations within complexes of ethyl acetoacetate + chloroform using semi-empirical methods. Hydrogen bond energies corresponding to each interaction were calculated through atoms-in-molecules (AIM) analysis of the molecules. Structural parameters of the molecules, molecular electrostatic potential (MEP), electronic properties, and reactivity were analyzed by examining the boundary molecular orbitals, namely the Highest Occupied Molecular Orbital (HOMO) and the Lowest Unoccupied Molecular Orbital (LUMO). Quantum chemical parameters such as Mulliken atomic charges, reduced density gradient (RDG), non-covalent interactions (NCI) were analyzed using the DFT method.
| Mualliflar | A. Jumabayev, A Absanov, L. Bulavin, Z. Ernazarov, U. (U) Jurayev, A. Safarov, A. Boliyev, M. Usmanov |
|---|---|
| Jurnal | Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi |
| Nashriyot | Самарқанд давлат университети |
| ISSN | 2091-5446, 2181-1296 |
| Nashr sanasi | 2026-07-01 |
| Jild | 2 |
| Son | 3 |
| Betlar | 5-17 |
| Til | Ingliz |
| DOI | 10.59251/2181-3973.2025.v1.138.1.3987 |
| Indeksga qo‘shilgan | 2026-09-02 |
DOI: 10.59251/2181-3973.2025.v1.138.1.3987 · Maqolaning asl sahifasi
| APA | A. Jumabayev, A Absanov, L. Bulavin, Z. Ernazarov, U. (U) Jurayev, A. Safarov, A. Boliyev, & M. Usmanov (2026). VIBRATIONS SPECTRA AND QUANTUM-CHEMICAL CALCULATIONS AND VARIOUS TOPOLOGICAL ANALYSES TO STUDY INTERACTIONS IN ETHYL ACETOACETATE-CHLOROFORM CLUSTERS. Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 2(3), 5-17. https://doi.org/10.59251/2181-3973.2025.v1.138.1.3987 |
|---|---|
| GOST (OAK) | A. Jumabayev va b. VIBRATIONS SPECTRA AND QUANTUM-CHEMICAL CALCULATIONS AND VARIOUS TOPOLOGICAL ANALYSES TO STUDY INTERACTIONS IN ETHYL ACETOACETATE-CHLOROFORM CLUSTERS // Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi. – 2026. – T. 2, № 3. – P. 5-17. – DOI: 10.59251/2181-3973.2025.v1.138.1.3987. |
| MLA | A. Jumabayev, A Absanov, L. Bulavin, Z. Ernazarov, U. (U) Jurayev, A. Safarov, A. Boliyev, and M. Usmanov. “VIBRATIONS SPECTRA AND QUANTUM-CHEMICAL CALCULATIONS AND VARIOUS TOPOLOGICAL ANALYSES TO STUDY INTERACTIONS IN ETHYL ACETOACETATE-CHLOROFORM CLUSTERS.” Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 2(3), 5-17, 2026. https://doi.org/10.59251/2181-3973.2025.v1.138.1.3987 |
| Chicago | A. Jumabayev, A Absanov, L. Bulavin, Z. Ernazarov, U. (U) Jurayev, A. Safarov, A. Boliyev, and M. Usmanov. “VIBRATIONS SPECTRA AND QUANTUM-CHEMICAL CALCULATIONS AND VARIOUS TOPOLOGICAL ANALYSES TO STUDY INTERACTIONS IN ETHYL ACETOACETATE-CHLOROFORM CLUSTERS.” Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 2(3), 5-17 (2026). https://doi.org/10.59251/2181-3973.2025.v1.138.1.3987 |
| Harvard | A. Jumabayev, A Absanov, L. Bulavin, Z. Ernazarov, U. (U) Jurayev, A. Safarov, A. Boliyev, and M. Usmanov (2026) ‘VIBRATIONS SPECTRA AND QUANTUM-CHEMICAL CALCULATIONS AND VARIOUS TOPOLOGICAL ANALYSES TO STUDY INTERACTIONS IN ETHYL ACETOACETATE-CHLOROFORM CLUSTERS’, Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 2(3), 5-17. https://doi.org/10.59251/2181-3973.2025.v1.138.1.3987 |
| BibTeX | @article{ajumabayev2026,
title = {VIBRATIONS SPECTRA AND QUANTUM-CHEMICAL CALCULATIONS AND VARIOUS TOPOLOGICAL ANALYSES TO STUDY INTERACTIONS IN ETHYL ACETOACETATE-CHLOROFORM CLUSTERS},
author = {A. Jumabayev and A Absanov and L. Bulavin and Z. Ernazarov and U. (U) Jurayev and A. Safarov and A. Boliyev and M. Usmanov},
journal = {Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi},
year = {2026},
volume = {2},
number = {3},
pages = {5-17},
doi = {10.59251/2181-3973.2025.v1.138.1.3987},
url = {https://doi.org/10.59251/2181-3973.2025.v1.138.1.3987}
} |
Boshqa maqola uchun iqtibos tayyorlash
This study investigates the synthesis of mesoporous silica (SBA-15) using a natural surfactant, Geranyl acetate saponin, and its application as an organo–inorganic hybrid supercapacitor material after modification with…
In this work, the inverse spectral problem method is applied to integrate an equation composed of a combination of nonlinear KdV(+1) and KdV(-1) equations with an integral source. An infinite system of Dubrovin…
The article considers montmorillonite and laponite as promising layered silicates for the development of adsorbents and functional materials. The interest in these materials is attributed to their unique structure…
In this work, a new complex compound based on 4-nitroftalic acid and ethylenediamine of composition [C8H3NO6]2−·(C2H10N2)2+ was synthesized for the first time. The complex compound was grown from solution by slow…
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…
Scientific and methodological foundations for optimal identification, recognition, and classification of single-cell medical objects have been developed using hybrid convolutional neural networks with recurrent…
This paper examines the problem of ensuring the security of information exchange based on the principles of quantum computing. Within the scope of the study, the stages of user authentication, secret-key generation via…
Modeling of the adsorption of CH, CH₂, and CH₃ fragments on fullerene C₆₀ was performed. Interatomic interactions were described using a hybrid potential scheme implemented in LAMMPS. The hydrocarbon fragment was…
A direct electrochemical method for the determination of sulfur-containing compounds in motor fuels using copper-modified screen-printed electrodes (Cu-SPCE) and square-wave voltammetry has been developed. The electrode…
Addressing the challenges of ambiguity in veterinary medicine, this study proposes a novel approach to cattle disease diagnosis using neutrosophic sets and the Sugeno fuzzy model. The research develops specialized…
Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi — barcha maqolalar · 2026-yil arxivi