Conformational analysis of aminomethyl- and 2- aminoethylphosphonic acids: conformational sensitivity of the c–p bond in the natural aminophosphonate series

Rajabova, Sh.N., G'aniyev, B.Sh.

Қўқон ДПИ. Илмий хабарлар · 2026-yil

Annotatsiya

The two smallest members of the natural aminophosphonic acid family — aminomethylphosphonic acid (AMPA) and 2-aminoethylphosphonic acid (ciliatine, AEPA) — were examined at the B3LYP/6-311++G(d,p) level. Four minima were located for AMPA and three for AEPA. The conformational spread of the C–P bond length is 0.0104 Å in AMPA and 0.0201 Å in AEPA. Boltzmann-averaged values are 1.8294 and 1.8257 Å, differing by only 0.0037 Å, whereas a comparison restricted to the anti conformers gives 0.0255 Å. QTAIM analysis of the wavefunctions yields ∇²ρ = −0.3991 a.u. and ELF = 0.7518 at the C–P bond critical point of AMPA against −0.2837 a.u. and 0.6426 for the anti- AEPA. No bond critical point is located between the amino hydrogens and the phosphonate oxygens in either molecule. The dipole moment of AEPA varies from 0.557 to 6.351 D across conformers, indicating that the conformational equilibrium is strongly solvent- dependent. The methylene spacer does not shorten the C–P bond — it opens the bond to conformational control.

Maqola ma’lumotlari
MualliflarRajabova, Sh.N., G'aniyev, B.Sh.
JurnalҚўқон ДПИ. Илмий хабарлар
NashriyotҚўқон давлат педагогика институти
ISSN3030-3958
Nashr sanasi2026-09-09
Jild8
Son8
Betlar714-723
TilIngliz
DOI10.70728/a.series.tab.v08.i08.089
Indeksga qo‘shilgan2026-09-10

DOI: 10.70728/a.series.tab.v08.i08.089 · Maqolaning asl sahifasi

Kalit so‘zlar

aminophosphonic acid, ciliatine, conformational analysis, C–P bond, density functional theory, QTAIM, ELF, Boltzmann distribution

Iqtibos keltirish

APARajabova, Sh.N., & G'aniyev, B.Sh. (2026). CONFORMATIONAL ANALYSIS OF AMINOMETHYL- AND 2- AMINOETHYLPHOSPHONIC ACIDS: CONFORMATIONAL SENSITIVITY OF THE C–P BOND IN THE NATURAL AMINOPHOSPHONATE SERIES. Қўқон ДПИ. Илмий хабарлар, 8(8), 714-723. https://doi.org/10.70728/a.series.tab.v08.i08.089
GOST (OAK)Rajabova, Sh.N., G'aniyev, B.Sh. CONFORMATIONAL ANALYSIS OF AMINOMETHYL- AND 2- AMINOETHYLPHOSPHONIC ACIDS: CONFORMATIONAL SENSITIVITY OF THE C–P BOND IN THE NATURAL AMINOPHOSPHONATE SERIES // Қўқон ДПИ. Илмий хабарлар. – 2026. – T. 8, № 8. – P. 714-723. – DOI: 10.70728/a.series.tab.v08.i08.089.
MLARajabova, Sh.N., and G'aniyev, B.Sh. “CONFORMATIONAL ANALYSIS OF AMINOMETHYL- AND 2- AMINOETHYLPHOSPHONIC ACIDS: CONFORMATIONAL SENSITIVITY OF THE C–P BOND IN THE NATURAL AMINOPHOSPHONATE SERIES.” Қўқон ДПИ. Илмий хабарлар, 8(8), 714-723, 2026. https://doi.org/10.70728/a.series.tab.v08.i08.089
ChicagoRajabova, Sh.N., and G'aniyev, B.Sh. “CONFORMATIONAL ANALYSIS OF AMINOMETHYL- AND 2- AMINOETHYLPHOSPHONIC ACIDS: CONFORMATIONAL SENSITIVITY OF THE C–P BOND IN THE NATURAL AMINOPHOSPHONATE SERIES.” Қўқон ДПИ. Илмий хабарлар, 8(8), 714-723 (2026). https://doi.org/10.70728/a.series.tab.v08.i08.089
HarvardRajabova, Sh.N., and G'aniyev, B.Sh (2026) ‘CONFORMATIONAL ANALYSIS OF AMINOMETHYL- AND 2- AMINOETHYLPHOSPHONIC ACIDS: CONFORMATIONAL SENSITIVITY OF THE C–P BOND IN THE NATURAL AMINOPHOSPHONATE SERIES’, Қўқон ДПИ. Илмий хабарлар, 8(8), 714-723. https://doi.org/10.70728/a.series.tab.v08.i08.089
BibTeX
@article{rajabovashn2026,
  title = {CONFORMATIONAL ANALYSIS OF AMINOMETHYL- AND 2- AMINOETHYLPHOSPHONIC ACIDS: CONFORMATIONAL SENSITIVITY OF THE C–P BOND IN THE NATURAL AMINOPHOSPHONATE SERIES},
  author = {Rajabova, Sh.N. and G'aniyev, B.Sh.},
  journal = {Қўқон ДПИ. Илмий хабарлар},
  year = {2026},
  volume = {8},
  number = {8},
  pages = {714-723},
  doi = {10.70728/a.series.tab.v08.i08.089},
  url = {https://doi.org/10.70728/a.series.tab.v08.i08.089}
}

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