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Influence of Hydrogen Bonds in 1:1 Complexes of Phosphinic Acids with Substituted Pyridines on 1H and 31P NMR Chemical Shifts. / Giba, Ivan S. ; Mulloyarova, Valeria V. ; Denisov, Gleb S. ; Tolstoy, Peter M. .

In: Journal of Physical Chemistry A, Vol. 123, No. 11, 21.03.2019, p. 2252-2260.

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

Harvard

Giba, IS, Mulloyarova, VV, Denisov, GS & Tolstoy, PM 2019, 'Influence of Hydrogen Bonds in 1:1 Complexes of Phosphinic Acids with Substituted Pyridines on 1H and 31P NMR Chemical Shifts', Journal of Physical Chemistry A, vol. 123, no. 11, pp. 2252-2260. https://doi.org/10.1021/acs.jpca.9b00625

APA

Giba, I. S., Mulloyarova, V. V., Denisov, G. S., & Tolstoy, P. M. (2019). Influence of Hydrogen Bonds in 1:1 Complexes of Phosphinic Acids with Substituted Pyridines on 1H and 31P NMR Chemical Shifts. Journal of Physical Chemistry A, 123(11), 2252-2260. https://doi.org/10.1021/acs.jpca.9b00625

Vancouver

Giba IS, Mulloyarova VV, Denisov GS, Tolstoy PM. Influence of Hydrogen Bonds in 1:1 Complexes of Phosphinic Acids with Substituted Pyridines on 1H and 31P NMR Chemical Shifts. Journal of Physical Chemistry A. 2019 Mar 21;123(11):2252-2260. https://doi.org/10.1021/acs.jpca.9b00625

Author

Giba, Ivan S. ; Mulloyarova, Valeria V. ; Denisov, Gleb S. ; Tolstoy, Peter M. . / Influence of Hydrogen Bonds in 1:1 Complexes of Phosphinic Acids with Substituted Pyridines on 1H and 31P NMR Chemical Shifts. In: Journal of Physical Chemistry A. 2019 ; Vol. 123, No. 11. pp. 2252-2260.

BibTeX

@article{dc63dc20a7194221bc0a39a0c996e9d4,
title = "Influence of Hydrogen Bonds in 1:1 Complexes of Phosphinic Acids with Substituted Pyridines on 1H and 31P NMR Chemical Shifts",
abstract = "Two series of 1:1 complexes with strong OHN hydrogen bonds formed by dimethylphosphinic and phenylphosphinic acids with 10 substituted pyridines were studied experimentally by liquid state NMR spectroscopy at 100 K in solution in a low-freezing polar aprotic solvent mixture CDF 3 /CDClF 2 . The hydrogen bond geometries were estimated using previously established correlations linking 1 H NMR chemical shifts of bridging protons with the O···H and H···N interatomic distances. A new correlation is proposed allowing one to estimate the interatomic distance within the OHN bridge from the displacement of 31 P NMR signal upon complexation. We show that the values of 31 P NMR chemical shifts are affected by an additional CH···O hydrogen bond formed between the P?O group of the acid and ortho-CH proton of the substituted pyridines. Breaking of this bond in the case of 2,6-disubstituted bases shifts the 31 P NMR signal by ca. 1.5 ppm to the high field. ",
keywords = "CRYSTAL-STRUCTURE, CYCLIC DIMER, GAS-PHASE, HINDERED SOLVENT EXTRACTANTS, MOLECULAR-STRUCTURE, N-15 NMR, PHASE ELECTRON-DIFFRACTION, PHOSPHORIC-ACID, PROTON-TRANSFER, SOLID-STATE",
author = "Giba, {Ivan S.} and Mulloyarova, {Valeria V.} and Denisov, {Gleb S.} and Tolstoy, {Peter M.}",
year = "2019",
month = mar,
day = "21",
doi = "10.1021/acs.jpca.9b00625",
language = "English",
volume = "123",
pages = "2252--2260",
journal = "Journal of Physical Chemistry B",
issn = "1520-6106",
publisher = "American Chemical Society",
number = "11",

}

RIS

TY - JOUR

T1 - Influence of Hydrogen Bonds in 1:1 Complexes of Phosphinic Acids with Substituted Pyridines on 1H and 31P NMR Chemical Shifts

AU - Giba, Ivan S.

AU - Mulloyarova, Valeria V.

AU - Denisov, Gleb S.

AU - Tolstoy, Peter M.

PY - 2019/3/21

Y1 - 2019/3/21

N2 - Two series of 1:1 complexes with strong OHN hydrogen bonds formed by dimethylphosphinic and phenylphosphinic acids with 10 substituted pyridines were studied experimentally by liquid state NMR spectroscopy at 100 K in solution in a low-freezing polar aprotic solvent mixture CDF 3 /CDClF 2 . The hydrogen bond geometries were estimated using previously established correlations linking 1 H NMR chemical shifts of bridging protons with the O···H and H···N interatomic distances. A new correlation is proposed allowing one to estimate the interatomic distance within the OHN bridge from the displacement of 31 P NMR signal upon complexation. We show that the values of 31 P NMR chemical shifts are affected by an additional CH···O hydrogen bond formed between the P?O group of the acid and ortho-CH proton of the substituted pyridines. Breaking of this bond in the case of 2,6-disubstituted bases shifts the 31 P NMR signal by ca. 1.5 ppm to the high field.

AB - Two series of 1:1 complexes with strong OHN hydrogen bonds formed by dimethylphosphinic and phenylphosphinic acids with 10 substituted pyridines were studied experimentally by liquid state NMR spectroscopy at 100 K in solution in a low-freezing polar aprotic solvent mixture CDF 3 /CDClF 2 . The hydrogen bond geometries were estimated using previously established correlations linking 1 H NMR chemical shifts of bridging protons with the O···H and H···N interatomic distances. A new correlation is proposed allowing one to estimate the interatomic distance within the OHN bridge from the displacement of 31 P NMR signal upon complexation. We show that the values of 31 P NMR chemical shifts are affected by an additional CH···O hydrogen bond formed between the P?O group of the acid and ortho-CH proton of the substituted pyridines. Breaking of this bond in the case of 2,6-disubstituted bases shifts the 31 P NMR signal by ca. 1.5 ppm to the high field.

KW - CRYSTAL-STRUCTURE

KW - CYCLIC DIMER

KW - GAS-PHASE

KW - HINDERED SOLVENT EXTRACTANTS

KW - MOLECULAR-STRUCTURE

KW - N-15 NMR

KW - PHASE ELECTRON-DIFFRACTION

KW - PHOSPHORIC-ACID

KW - PROTON-TRANSFER

KW - SOLID-STATE

UR - http://www.scopus.com/inward/record.url?scp=85063321532&partnerID=8YFLogxK

UR - http://www.mendeley.com/research/influence-hydrogen-bonds-11-complexes-phosphinic-acids-substituted-pyridines-1-h-31-p-nmr-chemical-s

U2 - 10.1021/acs.jpca.9b00625

DO - 10.1021/acs.jpca.9b00625

M3 - Article

VL - 123

SP - 2252

EP - 2260

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 11

ER -

ID: 39978684