Relativistically corrected nuclear magnetic resonance chemical shifts calculated with the normalized elimination of the small component using an effective potential-NMR chemical shifts of molybdenum and tungsten

2003 ◽  
Vol 119 (2) ◽  
pp. 701-712 ◽  
Author(s):  
Michael Filatov ◽  
Dieter Cremer
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Effective Potential ◽  
Chemical Shifts ◽  
Small Component ◽  
Nmr Chemical Shifts ◽  
And Tungsten ◽  
Nuclear Magnetic

scholarly journals Syntheses, structures, and1H,13C{1H} and119Sn{1H} NMR chemical shifts of a family of trimethyltin alkoxide, amide, halide and cyclopentadienyl compounds

2015 ◽  
Vol 44 (36) ◽  
pp. 16156-16163 ◽  
Author(s):  
Alejandro G. Lichtscheidl ◽  
Michael T. Janicke ◽  
Brian L. Scott ◽  
Andrew T. Nelson ◽  
Jaqueline L. Kiplinger
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Organic Solvents ◽  
1H Nmr ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts ◽  
Full Characterization ◽  
Nuclear Magnetic

The synthesis and full characterization by Nuclear Magnetic Resonance (1H,13C{1H} and119Sn{1H}) of eleven Me3SnX complexes in six common organic solvents is presented.

A stereochemical investigation of substituted ethylene sulfites via 13C nuclear magnetic resonance

1976 ◽  
Vol 54 (9) ◽  
pp. 1428-1432 ◽  
Author(s):  
Gerald W. Buchanan ◽  
Desmond G. Hellier
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Conformational Analysis ◽  
Sulfur Atom ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts ◽  
13C Nuclear Magnetic Resonance ◽  
Ethylene Sulfite ◽  
C Nmr ◽  
Nuclear Magnetic

13C nmr chemical shifts for ethylene sulfite and 17 derivatives are presented. From the magnitudes of the γ shifts and the tenets of conformational analysis, support is gained for the existence of twist-envelope conformations in solution. Pseudorotational paths are suggested which do not involve inversion at the sulfur atom.

Improving the accuracy of solid-state nuclear magnetic resonance chemical shift prediction with a simple molecular correction

2019 ◽  
Vol 21 (27) ◽  
pp. 14992-15000 ◽  
Author(s):  
Martin Dračínský ◽  
Pablo Unzueta ◽  
Gregory J. O. Beran
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Solid State ◽  
Magnetic Resonance ◽  
Chemical Shift ◽  
Solid State Nmr ◽  
Chemical Shifts ◽  
Chemical Shift Prediction ◽  
Nmr Chemical Shifts ◽  
Nuclear Magnetic

A simple molecular correction improves significantly the accuracy of predictions of solid-state NMR chemical shifts.

Carbon-13 nuclear magnetic resonance examination of naphthalene derivatives. Assignments and analysis of substituent chemical shifts

1977 ◽  
Vol 42 (14) ◽  
pp. 2411-2418 ◽  
Author(s):  
William Kitching ◽  
Maxwell Bullpitt ◽  
David Gartshore ◽  
William Adcock ◽  
T. C. Khor ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shifts ◽  
Magnetic Resonance Examination ◽  
Naphthalene Derivatives ◽  
Nuclear Magnetic

Nuclear Magnetic Resonance Chemical Shifts of some Monosubstituted Isothiazoles

1975 ◽  
Vol 53 (4) ◽  
pp. 596-603 ◽  
Author(s):  
Roderick E. Wasylishen ◽  
Thomas R. Clem ◽  
Edwin D. Becker
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shifts ◽  
Substituent Effects ◽  
Charge Densities ◽  
Monosubstituted Benzenes ◽  
Proton Chemical Shifts ◽  
Nuclear Magnetic

Carbon-13 and proton chemical shifts have been measured for several monosubstituted isothiazoles. Substituent effects upon these chemical shifts are compared with those observed for monosubstituted benzenes, pyridines, and thiophenes. In general the observed substituent effects in the isothiazoles and thiophenes closely parallel one another. Correlations between the observed carbon-13 Chemical shifts and CNDO/2 calculated charge densities are examined.

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