In this work, interactions of glyoxal in ethyl alcohol, water and dimethylsulfoxide (DMSO) complexes and their spectral manifestations were studied using ab-initio calculations. The molecular forces, bond structure and interactions present in the molecule were analyzed. When complex formation energies are calculated, this energy increases as the number of molecules increases. Mulliken charge distributions were also analyzed through the optimal geometry of the molecules. Calculations showed that the complexes are formed through atoms in the C=O and C-H groups of glyoxal. It was shown that the charge distribution in the atoms of this group changed a lot and that complexes were formed through hydrogen bonds in the form of C=O...H and C-H...O. It was also observed that the C=O stretching vibrational bands of glyoxal were shifted to a lower frequency in the complexes formed with ethanol/water/DMSO. Frontier molecular orbitals such as Highest occupied molecular orbital (HOMO) and Lowest unoccupied molecular orbital (LUMO) of glyoxal molecule were analyzed.
| Mualliflar | А. Jumabaev, A. Norkulov, S. Mahammadiev |
|---|---|
| Jurnal | Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi |
| Nashriyot | Самарқанд давлат университети |
| ISSN | 2091-5446, 2181-1296 |
| Nashr sanasi | 2025-03-29 |
| Jild | 1 |
| Son | 1 |
| Betlar | 76-90 |
| Til | Ingliz |
| DOI | 10.59251/2181-1296.2025.v1.149.1.3182 |
| Indeksga qo‘shilgan | 2026-09-02 |
DOI: 10.59251/2181-1296.2025.v1.149.1.3182 · Maqolaning asl sahifasi
| APA | А. Jumabaev, A. Norkulov, & S. Mahammadiev (2025). STUDY OF FORMATION MECHANISMS OF COMPLEXES FORMED WITH GLYOXAL SOLUTIONS USING QUANTUM CHEMICAL CALCULATIONS. Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 1(1), 76-90. https://doi.org/10.59251/2181-1296.2025.v1.149.1.3182 |
|---|---|
| GOST (OAK) | А. Jumabaev, A. Norkulov, S. Mahammadiev STUDY OF FORMATION MECHANISMS OF COMPLEXES FORMED WITH GLYOXAL SOLUTIONS USING QUANTUM CHEMICAL CALCULATIONS // Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi. – 2025. – T. 1, № 1. – P. 76-90. – DOI: 10.59251/2181-1296.2025.v1.149.1.3182. |
| MLA | А. Jumabaev, A. Norkulov, and S. Mahammadiev. “STUDY OF FORMATION MECHANISMS OF COMPLEXES FORMED WITH GLYOXAL SOLUTIONS USING QUANTUM CHEMICAL CALCULATIONS.” Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 1(1), 76-90, 2025. https://doi.org/10.59251/2181-1296.2025.v1.149.1.3182 |
| Chicago | А. Jumabaev, A. Norkulov, and S. Mahammadiev. “STUDY OF FORMATION MECHANISMS OF COMPLEXES FORMED WITH GLYOXAL SOLUTIONS USING QUANTUM CHEMICAL CALCULATIONS.” Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 1(1), 76-90 (2025). https://doi.org/10.59251/2181-1296.2025.v1.149.1.3182 |
| Harvard | А. Jumabaev, A. Norkulov, and S. Mahammadiev (2025) ‘STUDY OF FORMATION MECHANISMS OF COMPLEXES FORMED WITH GLYOXAL SOLUTIONS USING QUANTUM CHEMICAL CALCULATIONS’, Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 1(1), 76-90. https://doi.org/10.59251/2181-1296.2025.v1.149.1.3182 |
| BibTeX | @article{jumabaev2025,
title = {STUDY OF FORMATION MECHANISMS OF COMPLEXES FORMED WITH GLYOXAL SOLUTIONS USING QUANTUM CHEMICAL CALCULATIONS},
author = {А. Jumabaev and A. Norkulov and S. Mahammadiev},
journal = {Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi},
year = {2025},
volume = {1},
number = {1},
pages = {76-90},
doi = {10.59251/2181-1296.2025.v1.149.1.3182},
url = {https://doi.org/10.59251/2181-1296.2025.v1.149.1.3182}
} |
Boshqa maqola uchun iqtibos tayyorlash
7H-Pyrrolo[2,3-d]pyrimidines or 7-deazapurines are analogs of purines, which are part of DNA and RNA found in the human body, and therefore exhibit a high level of biological activity. There are also several approved…
To study the chemical and mineralogical composition of the selected clays, montmorillonite clays from the Navbahor deposit (Navoi region) were studied in order to determine the degree of this sorbentity. The work used…
In this paper, the characteristic vibrational modes of aniline were analyzed using polarized Raman and two dimensional Raman correlation spectroscopy methods. Polarized Raman spectra revealed the presence of anomalous…
This paper investigates the self-similar analysis of a system of equations given by a diffusion process. The study focuses on a coupled system of nonlinear parabolic partial differential equations (PDEs) that describe…
It is known that the theorems of Desargues and Steiner are the main theorems of projective geometry. In all sources, the proofs of these theorems are given by axiomatic methods. Since the axiomatic method consists of…
The structural, electronic, and bonding properties of hydrogen-bonded complexes between formamide and urea in different stoichiometric ratios (1:1, 1:2, and 2:1) have been investigated using Density Functional Theory…
By periodate oxidation of inulin, samples of polyaldehydinulin with varying degrees of oxidation have been obtained. The obtained polyaldehydinulines were used for the chemical modification of the low molecular weight…
In this work, the synthesis of iron ( Fe(II)), cobalt (Co(II)) and zinc (Zn(II)) ion complexes with flavonoids quercetin and rutin was studied and their stability constants at different pH values were estimated. The…
The effect of a mixed solvent of water - isopropanol was studied on the relative volume of polyvinyl alcohol gel in solutions of various electrolytes of different concentrations. Kinetic curves of the change in the…
A novel series of 6-bromo-benzo[2,1 b]pyrimidin-4-thiones were synthesized. Thiones of the tricyclic pyrimidinones are obtained via a conversion procedure, where the C=O functional group is successfully converted into…
Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi — barcha maqolalar · 2025-yil arxivi