On the NMR properties near the 3He A-normal transition

1975 ◽  
Vol 18 (3-4) ◽  
pp. 309-314 ◽  
Author(s):  
Shin Takagi
Symmetry ◽  
2021 ◽  
Vol 13 (7) ◽  
pp. 1298
Author(s):  
Ilya G. Shenderovich ◽  
Gleb S. Denisov

The isotopically enriched cyanide anion, (13C≡15N)−, has a great potential as the NMR probe of non-covalent interactions. However, hydrogen cyanide is highly toxic and can decompose explosively. It is therefore desirable to be able to theoretically estimate any valuable results of certain experiments in advance in order to carry out experimental studies only for the most suitable molecular systems. We report the effect of hydrogen bonding on NMR properties of 15N≡13CH···X and 13C≡15NH···X hydrogen bonding complexes in solution, where X = 19F, 15N, and O=31P, calculated at the ωB97XD/def2tzvp and the polarizable continuum model (PCM) approximations. In many cases, the isotropic 13C and 15N chemical shieldings of the cyanide anion are not the most informative NMR properties of such complexes. Instead, the anisotropy of these chemical shieldings and the values of scalar coupling constants, including those across hydrogen bonds, can be used to characterize the geometry of such complexes in solids and solutions. 1J(15N13C) strongly correlates with the length of the N≡C bond.


2000 ◽  
Vol 341-348 ◽  
pp. 797-800 ◽  
Author(s):  
D.C. Kim ◽  
J.S. Kim ◽  
S.J. Joo ◽  
G.T. Kim ◽  
C. Bougerol-Chaillout ◽  
...  

2000 ◽  
Vol 10 (1) ◽  
pp. 610-613 ◽  
Author(s):  
N. Yanagi ◽  
S. Imagawa ◽  
T. Mito ◽  
A. Iwamoto ◽  
H. Chikaraishi ◽  
...  

2007 ◽  
Vol 111 (3) ◽  
pp. 419-421 ◽  
Author(s):  
Janet E. Del Bene ◽  
José Elguero ◽  
Ibon Alkorta ◽  
Manuel Yáñez ◽  
Otilia Mó
Keyword(s):  

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