Calculation of spectroscopic parameters of hydrogen and halogen bounded CH3CHO···HF and CH3COH···FH complexes

Nurmurodova, G., Murodov, G., Khujamov, U., Buturlimova, M.

O‘zbekiston fizika jurnali · 2022-yil

Annotatsiya

In this work, equilibrium geometry, bond energy, harmonic and anharmonic spectral parameters of the monomers of CH3CHO, HF molecules and CH3CHO···HF, CH3COH···FH complexes were calculated using the set of bases MP2/6-311++G(3df, 3pd). Anharmonic calculations were performed using second-order vibration theory. The binding energies of CH3CHO ··· HF and CH3COH ··· FH complexes are 10.1 kcal/mol and 1.7 kcal/mol, respectively.

Maqola ma’lumotlari
MualliflarNurmurodova, G., Murodov, G., Khujamov, U., Buturlimova, M.
JurnalO‘zbekiston fizika jurnali
NashriyotЎзбекистон Республикаси Фанлар академияси
ISSN1025-8817, 2181-077X
Nashr sanasi2022-11-16
Jild24
Son4
Betlar310-313
TilIngliz
Ilmiy sohaFizika-matematika
DOI10.52304/.v24i4.388
Indeksga qo‘shilgan2026-08-26

DOI: 10.52304/.v24i4.388 · Maqolaning asl sahifasi

Kalit so‘zlar

неэмпирические расчеты, интенсивность, гармонические и ангармонические расчетные параметры, энергия, галогенная связь, водородная связь, harmonic and anharmonic calculation, energy, halogen bonding, hydrogen bonding

Ilmiy soha

Fizika-matematika

Iqtibos keltirish

APANurmurodova, G., Murodov, G., Khujamov, U., & Buturlimova, M. (2022). Calculation of spectroscopic parameters of hydrogen and halogen bounded CH3CHO···HF and CH3COH···FH complexes. O‘zbekiston fizika jurnali, 24(4), 310-313. https://doi.org/10.52304/.v24i4.388
GOST (OAK)Nurmurodova, G. va b. Calculation of spectroscopic parameters of hydrogen and halogen bounded CH3CHO···HF and CH3COH···FH complexes // O‘zbekiston fizika jurnali. – 2022. – T. 24, № 4. – P. 310-313. – DOI: 10.52304/.v24i4.388.
MLANurmurodova, G., Murodov, G., Khujamov, U., and Buturlimova, M. “Calculation of spectroscopic parameters of hydrogen and halogen bounded CH3CHO···HF and CH3COH···FH complexes.” O‘zbekiston fizika jurnali, 24(4), 310-313, 2022. https://doi.org/10.52304/.v24i4.388
ChicagoNurmurodova, G., Murodov, G., Khujamov, U., and Buturlimova, M. “Calculation of spectroscopic parameters of hydrogen and halogen bounded CH3CHO···HF and CH3COH···FH complexes.” O‘zbekiston fizika jurnali, 24(4), 310-313 (2022). https://doi.org/10.52304/.v24i4.388
HarvardNurmurodova, G., Murodov, G., Khujamov, U., and Buturlimova, M (2022) ‘Calculation of spectroscopic parameters of hydrogen and halogen bounded CH3CHO···HF and CH3COH···FH complexes’, O‘zbekiston fizika jurnali, 24(4), 310-313. https://doi.org/10.52304/.v24i4.388
BibTeX
@article{nurmurodovag2022,
  title = {Calculation of spectroscopic parameters of hydrogen and halogen bounded CH3CHO···HF and CH3COH···FH complexes},
  author = {Nurmurodova, G. and Murodov, G. and Khujamov, U. and Buturlimova, M.},
  journal = {O‘zbekiston fizika jurnali},
  year = {2022},
  volume = {24},
  number = {4},
  pages = {310-313},
  doi = {10.52304/.v24i4.388},
  url = {https://doi.org/10.52304/.v24i4.388}
}

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