DIMETILSULFOKSIT MOLEKULASINING ASOSIY HOLATDAGI ELEKTRON VA GEOMETRIK XUSUSIYATLARINI KVANT-KIMYOVIY HISOBLASHLAR ORQALI TADQIQ ETISH

https://doi.org/10.5281/zenodo.17265051

Authors

  • Fayzullayev O.T. O‘zbekiston Milliy universiteti Jizzax filiali Author
  • Abdusaitova H.V. O‘zbekiston Milliy universiteti Jizzax filiali Author
  • Ergashova D.E. O‘zbekiston Milliy universiteti Jizzax filiali Author
  • Sheranov J.E. O‘zbekiston Milliy universiteti Jizzax filiali Author
  • Abdumurodov B.E. O‘zbekiston Milliy universiteti Jizzax filiali Author
  • Muradova F.S. O‘zbekiston Milliy universiteti Jizzax filiali Author

Keywords:

dimetilsulfoksit; zariyad; bog‘ uzunligi; bog‘ burchagi; dipol moment; DFT; elektrofil; nukleofil

Abstract

Mazkur ishda dimetilsulfoksit molekulasining asosiy holatdagi kvant-kimyoviy hisoblash natijalari keltirildi. Hisoblashlar molekulaning elektron zichligi va geometriyasi o‘ziga xos tarzda taqsimlanganligini ko‘rsatdi: kislorod atomi eng katta manfiy zaryadni, sulfat atomi esa musbat zaryadni o‘zida to‘plagan bo‘lib, bu dimetilsulfoksitning yuqori qutubliligini ta’minlaydi. S=O bog‘i uzunligi 1,514 Å bo‘lib, rezonans ta’sirida biroz cho‘zilgani kuzatildi. S–C bog‘lari 1,835–1,885 Å diapazonda, C–H bog‘lari esa 1,089–1,091 Å oralig‘ida joylashgani aniqlandi. Burchak tahlillari esa molekulaning tetraedrik geometriyadan og‘ishini va kuchli dipol moment hosil qilishini ko‘rsatdi. Olingan natijalar dimetilsulfoksitning fotofizik va fotokimyoviy jarayonlardagi o‘ziga xos xususiyatlarini tushuntirishda hamda erituvchi sifatidagi noyob rolini izohlashda muhim ilmiy asos bo‘lib xizmat qiladi.

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References

Hansch C., Leo A., Taft R.W. A survey of Hammett substituent constants and resonance and field parameters. Chem. Rev. 91, 165–195 (1991).

Parker A.J. Solvation of ions. Part V. The role of dipolar aprotic solvents. Quart. Rev. Chem. Soc. 16, 163–187 (1962).

Parr R.G., Yang W. Density-Functional Theory of Atoms and Molecules. Oxford Univ. Press, 1989.

Cramer C.J. Essentials of Computational Chemistry. John Wiley & Sons, 2013.

Tomasi J., Mennucci B., Cammi R. Quantum Mechanical Continuum Solvation Models. Chem. Rev. 105, 2999–3093 (2005).

Reichardt C. Solvents and Solvent Effects in Organic Chemistry. Wiley-VCH, 2003.

Jensen F. Introduction to Computational Chemistry. Wiley, 2017.

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Published

2025-09-27

Conference Proceedings Volume

Vol. 1 No. 3 (2025): Kompyuter ilmlari va muhandislik texnologiyalari. Xalqaro ilmiy-texnik anjuman 2-qism

Section

SECTION 4.

License

Creative Commons License

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

How to Cite

Fayzullayev , O., Abdusaitova , H., Ergashova , D., Sheranov , J., Abdumurodov , B., & Muradova , F. (2025). DIMETILSULFOKSIT MOLEKULASINING ASOSIY HOLATDAGI ELEKTRON VA GEOMETRIK XUSUSIYATLARINI KVANT-KIMYOVIY HISOBLASHLAR ORQALI TADQIQ ETISH: https://doi.org/10.5281/zenodo.17265051. International Scientific and Practical Conference, 1(3), 147-151. https://bestjournalup.com/index.php/ispc/article/view/2147