On the Factors to Determine77Se NMR Chemical Shifts of Organic Selenium Compounds: Application of GIAO Magnetic Schielding Tensor to the77Se NMR Spectroscopy

1998 ◽  
Vol 27 (6) ◽  
pp. 523-524 ◽  
Author(s):  
Waro Nakanishi ◽  
Satoko Hayashi
Keyword(s):  
Nmr Spectroscopy ◽  
Chemical Shifts ◽  
Selenium Compounds ◽  
Nmr Chemical Shifts ◽  
Organic Selenium

Preparation, 1H and 13C NMR, and ab initio/IGLO study of mono-O-protonated deltic acid and theoretical investigation of di-, tri-, and tetra-O-protonated deltic acids

1999 ◽  
Vol 77 (5-6) ◽  
pp. 525-529 ◽  
Author(s):  
GK Surya Prakash ◽  
Golam Rasul ◽  
George A Olah ◽  
Ronghua Liu ◽  
Thomas T Tidwell
Keyword(s):  
Nmr Spectroscopy ◽  
Ab Initio ◽  
Theoretical Investigation ◽  
13C Nmr ◽  
Chemical Shifts ◽  
1H And 13C Nmr ◽  
Nmr Chemical Shifts ◽  
Molar Solution ◽  
Protonated Species ◽  
C Nmr

The hitherto elusive mono-O-protonated deltic acid C3O3H3+ was prepared by protolysis of di-tert-butoxy deltate in FSO3H-SO2ClF and in FSO3H:SbF5 (Magic Acid; 1:1 molar solution) in SO2ClF as solvent at -78°C and was characterized by 1H and 13C NMR spectroscopy. The structure and NMR chemical shifts were also calculated by the ab initio/IGLO method. No NMR evidence was found for persistent di-O-protonated deltic acid under these conditions, although a limited equilibrium with the mono-O-protonated species can be involved. Di-, tri-, and tetra-O-protonated deltic acids were also studied by ab initio/IGLO method.Key words: protonated deltic acid, aromaticity, superacids, NMR spectroscopy, ab initio and IGLO calculations.

scholarly journals What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?

2015 ◽  
Vol 6 (3) ◽  
pp. 1895-1904 ◽  
Author(s):  
Sai V. C. Vummaleti ◽  
David J. Nelson ◽  
Albert Poater ◽  
Adrián Gómez-Suárez ◽  
David B. Cordes ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Chemical Shifts ◽  
Heterocyclic Carbenes ◽  
Carbene Ligands ◽  
Nmr Chemical Shifts ◽  
The Relationship

The relationship between the NMR chemical shifts of phosphinidene and selenourea compounds and the π-accepting ability of the related carbene ligands has been investigated.

NMR effective radius of hydrogen in XIV group hydrides evaluated by NMR spectroscopy

2017 ◽  
Vol 46 (41) ◽  
pp. 14094-14097 ◽  
Author(s):  
M. Benedetti ◽  
F. De Castro ◽  
A. Ciccarese ◽  
F. P. Fanizzi
Keyword(s):  
Nmr Spectroscopy ◽  
Chemical Shift ◽  
Chemical Shifts ◽  
Effective Radius ◽  
Nmr Chemical Shift ◽  
Ionic Radii ◽  
Nmr Chemical Shifts

In the [ABrnIm] (A = C, Si, Ge, Sn; n + m = 4) compounds, with the heavier halido ligands bonded to the central IV group elements, the 13C, 29Si, 73Ge and 119Sn NMR chemical shifts were found to be linearly related to the bonded halides ionic radii overall sum, ∑(rh). The 207Pb NMR chemical shift of the unstable [PbH4] hydride could be calculated.

15N NMR spectroscopy unambiguously establishes the coordination mode of the diimine linker 2-(2′-pyridyl)pyrimidine-4-carboxylic acid (cppH) in Ru(ii) complexes

2015 ◽  
Vol 44 (35) ◽  
pp. 15671-15682 ◽  
Author(s):  
Federica Battistin ◽  
Gabriele Balducci ◽  
Nicola Demitri ◽  
Elisabetta Iengo ◽  
Barbara Milani ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Carboxylic Acid ◽  
Coordination Mode ◽  
Chemical Shifts ◽  
Natural Abundance ◽  
15N Nmr ◽  
Nmr Chemical Shifts ◽  
15N Nmr Spectroscopy ◽  
N Natural Abundance

The 15N NMR chemical shifts, obtained through {1H,15N}-HMBC spectra at 15N natural abundance, unambiguously establish the coordination mode of cppH (viaNo or Np) in a series of Ru(ii) compounds.

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