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

Hydrogen/deuterium isotope effects on the 15N NMR chemical shifts and geometries of low-barrier hydrogen bonds in the solid state

1996 ◽  
Vol 378 (1) ◽  
pp. 11-16 ◽  
Author(s):  
Hans Benedict ◽  
Christoph Hoelger ◽  
Francisco Aguilar-Parrilla ◽  
Wolf-Peter Fehlhammer ◽  
Martin Wehlan ◽  
...  
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Chemical Shifts ◽  
Isotope Effects ◽  
15N Nmr ◽  
Nmr Chemical Shifts ◽  
Hydrogen Deuterium ◽  
Deuterium Isotope Effects ◽  
Low Barrier Hydrogen Bonds

Hydrogen/Deuterium-Isotope Effects on NMR Chemical Shifts and Symmetry of Homoconjugated Hydrogen-Bonded Ions in Polar Solution

2000 ◽  
Vol 122 (51) ◽  
pp. 12878-12879 ◽  
Author(s):  
Parwin Schah-Mohammedi ◽  
Ilja G. Shenderovich ◽  
Carsten Detering ◽  
Hans-Heinrich Limbach ◽  
Peter M. Tolstoy ◽  
...  
Keyword(s):  
Chemical Shifts ◽  
Isotope Effects ◽  
Polar Solution ◽  
Nmr Chemical Shifts ◽  
Hydrogen Deuterium ◽  
Deuterium Isotope Effects ◽  
Hydrogen Bonded

Deuterium Isotope Effects on13C NMR Chemical Shifts Reflect the Smaller Steric Size of CD3Compared to CH3Groups§

2000 ◽  
Vol 2 (25) ◽  
pp. 4111-4113 ◽  
Author(s):  
Kerstin Ibrom ◽  
Gunther Kohn ( ◽  
Kai-Uwe Boeckmann ◽  
Roswitha Kraft ◽  
Petra Holba-Schulz ◽  
...  
Keyword(s):  
Chemical Shifts ◽  
Isotope Effects ◽  
Nmr Chemical Shifts ◽  
Deuterium Isotope Effects

Tritium isotope effects on carbon-13 NMR chemical shifts

1986 ◽  
Vol 108 (6) ◽  
pp. 1356-1357 ◽  
Author(s):  
Cheryl H. Arrowsmith ◽  
Lars. Baltzer ◽  
A. Jerry. Kresge ◽  
Michael F. Powell ◽  
Yui S. Tang
Keyword(s):  
Chemical Shifts ◽  
Isotope Effects ◽  
Nmr Chemical Shifts

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.

scholarly journals 45Scandium NMR Investigations in Aqueous Solutions

1983 ◽  
Vol 38 (3) ◽  
pp. 317-321 ◽  
Author(s):  
E. Haid ◽  
D. Köhnlein ◽  
G. Kössler ◽  
O. Lutz ◽  
W. Messner ◽  
...  
Keyword(s):  
Aqueous Solutions ◽  
Chemical Shifts ◽  
Isotope Effects ◽  
Larmor Frequency ◽  
Relaxation Rates ◽  
Nmr Chemical Shifts ◽  
Typical Behaviour ◽  
Solvent Isotope ◽  
Scandium Chloride ◽  
Solvent Isotope Effects

Abstract45Sc NMR chemical shifts, linewidths, and longitudinal relaxation rates have been measured in aqueous solutions of scandium chloride and sulphate as a function of the appropriate acid. A common typical behaviour of these parameters without sudden changes has been observed. Also signals in the basic range have been obtained. H2O -D2O solvent isotope effects on Larmor frequency and relaxation rates are presented.

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.

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