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

2019 ◽  
Vol 123 (11) ◽  
pp. 2252-2260 ◽  
Author(s):  
Ivan S. Giba ◽  
Valeria V. Mulloyarova ◽  
Gleb S. Denisov ◽  
Peter M. Tolstoy
Keyword(s):  
Hydrogen Bonds ◽  
31P Nmr ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts ◽  
Phosphinic Acids ◽  
Substituted Pyridines

Cyclic trimers of phosphinic acids in polar aprotic solvent: symmetry, chirality and H/D isotope effects on NMR chemical shifts

2018 ◽  
Vol 20 (7) ◽  
pp. 4901-4910 ◽  
Author(s):  
V. V. Mulloyarova ◽  
I. S. Giba ◽  
M. A. Kostin ◽  
G. S. Denisov ◽  
I. G. Shenderovich ◽  
...  
Keyword(s):  
Aprotic Solvent ◽  
Chemical Shifts ◽  
Isotope Effects ◽  
Nmr Chemical Shifts ◽  
Polar Aprotic Solvent ◽  
Phosphinic Acids ◽  
Proton Chemical Shifts ◽  
Bonded Complexes ◽  
Hydrogen Bonded

By using NMR in liquefied gases, the stoichiometry of hydrogen-bonded complexes is determined via H/D isotope effects on proton chemical shifts.

Substituent Effects on 31P NMR Chemical Shifts and 1JP–Se of triarylselenophosphates

2010 ◽  
Vol 185 (4) ◽  
pp. 772-784 ◽  
Author(s):  
Zaira Domínguez ◽  
Javier Hernández ◽  
Lorena Silva-Gutiérrez ◽  
Magali Salas-Reyes ◽  
Mario Sánchez ◽  
...  
Keyword(s):  
31P Nmr ◽  
Chemical Shifts ◽  
Substituent Effects ◽  
Nmr Chemical Shifts

scholarly journals H/D Isotope Effects on 1H-NMR Chemical Shifts in Cyclic Heterodimers and Heterotrimers of Phosphinic and Phosphoric Acids

Molecules ◽  
2020 ◽  
Vol 25 (8) ◽  
pp. 1907 ◽  
Author(s):  
Valeriia V. Mulloyarova ◽  
Daria O. Ustimchuk ◽  
Aleksander Filarowski ◽  
Peter M. Tolstoy
Keyword(s):  
Chemical Shift ◽  
Low Temperature ◽  
Hydrogen Bonds ◽  
1H Nmr ◽  
31P Nmr ◽  
Chemical Shifts ◽  
Isotope Effects ◽  
Proton Chemical Shift ◽  
Steric Factors ◽  
Solvent Formation

Hydrogen-bonded heterocomplexes formed by POOH-containing acids (diphenylphosphoric 1, dimethylphosphoric 2, diphenylphosphinic 3, and dimethylphosphinic 4) are studied by the low-temperature (100 K) 1H-NMR and 31P-NMR using liquefied gases CDF3/CDF2Cl as a solvent. Formation of cyclic dimers and cyclic trimers consisting of molecules of two different acids is confirmed by the analysis of vicinal H/D isotope effects (changes in the bridging proton chemical shift, δH, after the deuteration of a neighboring H-bond). Acids 1 and 4 (or 1 and 3) form heterotrimers with very strong (short) H-bonds (δH ca. 17 ppm). While in the case of all heterotrimers the H-bonds are cyclically arranged head-to-tail, ···O=P–O–H···O=P–O–H···, and thus their cooperative coupling is expected, the signs of vicinal H/D isotope effects indicate an effective anticooperativity, presumably due to steric factors: when one of the H-bonds is elongated upon deuteration, the structure of the heterotrimer adjusts by shortening the neighboring hydrogen bonds. We also demonstrate the formation of cyclic tetramers: in the case of acids 1 and 4 the structure has alternating molecules of 1 and 4 in the cycle, while in case of acids 1 and 3 the cycle has two molecules of 1 followed by two molecules of 3.

Geometries and Tautomerism of OHN Hydrogen Bonds in Aprotic Solution Probed by H/D Isotope Effects on13C NMR Chemical Shifts

2010 ◽  
Vol 114 (40) ◽  
pp. 10775-10782 ◽  
Author(s):  
Peter M. Tolstoy ◽  
Jing Guo ◽  
Benjamin Koeppe ◽  
Nikolai S. Golubev ◽  
Gleb S. Denisov ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Chemical Shifts ◽  
Isotope Effects ◽  
Nmr Chemical Shifts
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