Standard

Complexes of phosphine oxides with substituted phenols: hydrogen bond characterization based on shifts of P=O stretching bands. / Костин, Михаил Александрович; Алкхудер, Омар; Сюй, Лухан; Крутин, Данил Вячеславович; Асфин, Руслан Евгеньевич; Толстой, Петр Михайлович.

In: Physical Chemistry Chemical Physics, Vol. 26, No. 13, 07.04.2024, p. 10234-10242.

Research output: Contribution to journal › Article › peer-review

Harvard

Костин, МА, Алкхудер, О, Сюй, Л, Крутин, ДВ, Асфин, РЕ & Толстой, ПМ 2024, 'Complexes of phosphine oxides with substituted phenols: hydrogen bond characterization based on shifts of P=O stretching bands', Physical Chemistry Chemical Physics, vol. 26, no. 13, pp. 10234-10242. https://doi.org/10.1039/d3cp05817d

APA

Костин, М. А., Алкхудер, О., Сюй, Л., Крутин, Д. В., Асфин, Р. Е., & Толстой, П. М. (2024). Complexes of phosphine oxides with substituted phenols: hydrogen bond characterization based on shifts of P=O stretching bands. Physical Chemistry Chemical Physics, 26(13), 10234-10242. https://doi.org/10.1039/d3cp05817d

Vancouver

Костин МА, Алкхудер О, Сюй Л, Крутин ДВ, Асфин РЕ, Толстой ПМ. Complexes of phosphine oxides with substituted phenols: hydrogen bond characterization based on shifts of P=O stretching bands. Physical Chemistry Chemical Physics. 2024 Apr 7;26(13):10234-10242. https://doi.org/10.1039/d3cp05817d

Author

Костин, Михаил Александрович ; Алкхудер, Омар ; Сюй, Лухан ; Крутин, Данил Вячеславович ; Асфин, Руслан Евгеньевич ; Толстой, Петр Михайлович. / Complexes of phosphine oxides with substituted phenols: hydrogen bond characterization based on shifts of P=O stretching bands. In: Physical Chemistry Chemical Physics. 2024 ; Vol. 26, No. 13. pp. 10234-10242.

BibTeX

@article{5c60074b504c455ca4a5c5d95de31eaa,
title = "Complexes of phosphine oxides with substituted phenols: hydrogen bond characterization based on shifts of P=O stretching bands",
abstract = "In this work IR spectral characteristics of P O groups are used to evaluate the strength of OHO hydrogen bonds. Three phosphine oxides: triphenylphosphine oxide, tributylphosphine oxide and hexamethylphosphoramide are investigated as proton acceptors. The results of the experimental IR study and DFT calculation of 30 complexes formed by phosphine oxides with various substituted phenols or CF3CH2OH in CCl4 solution at room temperature are reported. We show that the P O vibrational frequency changes non-linearly upon hydrogen bond formation and strengthening and that the shift of the P O band could be used for the estimation of hydrogen bond strength in complexes with phosphine oxides. The accuracy of these estimations and the influence of solvation effects on the main characteristics of complexes are discussed.",
author = "Костин, {Михаил Александрович} and Омар Алкхудер and Лухан Сюй and Крутин, {Данил Вячеславович} and Асфин, {Руслан Евгеньевич} and Толстой, {Петр Михайлович}",
year = "2024",
month = apr,
day = "7",
doi = "10.1039/d3cp05817d",
language = "English",
volume = "26",
pages = "10234--10242",
journal = "Transactions of the Faraday Society",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "13",

}

RIS

TY - JOUR

T1 - Complexes of phosphine oxides with substituted phenols: hydrogen bond characterization based on shifts of P=O stretching bands

AU - Костин, Михаил Александрович

AU - Алкхудер, Омар

AU - Сюй, Лухан

AU - Крутин, Данил Вячеславович

AU - Асфин, Руслан Евгеньевич

AU - Толстой, Петр Михайлович

PY - 2024/4/7

Y1 - 2024/4/7

N2 - In this work IR spectral characteristics of P O groups are used to evaluate the strength of OHO hydrogen bonds. Three phosphine oxides: triphenylphosphine oxide, tributylphosphine oxide and hexamethylphosphoramide are investigated as proton acceptors. The results of the experimental IR study and DFT calculation of 30 complexes formed by phosphine oxides with various substituted phenols or CF3CH2OH in CCl4 solution at room temperature are reported. We show that the P O vibrational frequency changes non-linearly upon hydrogen bond formation and strengthening and that the shift of the P O band could be used for the estimation of hydrogen bond strength in complexes with phosphine oxides. The accuracy of these estimations and the influence of solvation effects on the main characteristics of complexes are discussed.

AB - In this work IR spectral characteristics of P O groups are used to evaluate the strength of OHO hydrogen bonds. Three phosphine oxides: triphenylphosphine oxide, tributylphosphine oxide and hexamethylphosphoramide are investigated as proton acceptors. The results of the experimental IR study and DFT calculation of 30 complexes formed by phosphine oxides with various substituted phenols or CF3CH2OH in CCl4 solution at room temperature are reported. We show that the P O vibrational frequency changes non-linearly upon hydrogen bond formation and strengthening and that the shift of the P O band could be used for the estimation of hydrogen bond strength in complexes with phosphine oxides. The accuracy of these estimations and the influence of solvation effects on the main characteristics of complexes are discussed.

UR - https://www.mendeley.com/catalogue/bb041279-a7a6-3c12-8684-fdb6a8e75393/

U2 - 10.1039/d3cp05817d

DO - 10.1039/d3cp05817d

M3 - Article

VL - 26

SP - 10234

EP - 10242

JO - Transactions of the Faraday Society

JF - Transactions of the Faraday Society

SN - 1463-9076

IS - 13

ER -

ID: 119845063