On the long-range relativistic effects in the 15 N NMR chemical shifts of halogenated azines

2017 ◽  
Vol 55 (11) ◽  
pp. 990-995 ◽  
Author(s):  
Dmitry O. Samultsev ◽  
Yury Yu. Rusakov ◽  
Leonid B. Krivdin
Keyword(s):  
Long Range ◽  
Chemical Shifts ◽  
Relativistic Effects ◽  
Nmr Chemical Shifts

Relativistic effects on the 125Te and 33S NMR chemical shifts of various tellurium and sulfur species, together with 77Se of selenium congeners, in the framework of a zeroth-order regular approximation: applicability to tellurium compounds

RSC Advances ◽  
2014 ◽  
Vol 4 (84) ◽  
pp. 44795-44810 ◽  
Author(s):  
Satoko Hayashi ◽  
Kohei Matsuiwa ◽  
Waro Nakanishi
Keyword(s):  
Chemical Shifts ◽  
Relativistic Effects ◽  
Spin Orbit ◽  
Zeroth Order ◽  
Sulfur Species ◽  
Nmr Chemical Shifts ◽  
Regular Approximation

The relativistic effects on σ(Te), σ(Se), and σ(S) were evaluated separately by scalar and spin–orbit terms for various species containing Te, Se, and S nuclei. The applicability of σt(Te)Rlt-so to analyze δ(Te)obsd and the trend in the nuclei are discussed.

Oligo(cyclohexylidene) oximes and derivatives as probe molecules for long-range substituent effects on 13C NMR chemical shifts

1996 ◽  
pp. 2327 ◽  
Author(s):  
Frans J. Hoogesteger ◽  
David M. Grove ◽  
Leonardus W. Jenneskens ◽  
Theodorus J. M. de Bruin ◽  
Bart A. J. Jansen
Keyword(s):  
Long Range ◽  
13C Nmr ◽  
Chemical Shifts ◽  
Substituent Effects ◽  
Probe Molecules ◽  
Nmr Chemical Shifts ◽  
13C Nmr Chemical Shifts

Relativistic effects of chlorine in 15N NMR chemical shifts of chlorine-containing amines

2017 ◽  
Vol 53 (11) ◽  
pp. 1738-1739
Author(s):  
D. O. Samul’tsev ◽  
Yu. Yu. Rusakov ◽  
L. B. Krivdin
Keyword(s):  
Chemical Shifts ◽  
Relativistic Effects ◽  
15N Nmr ◽  
Nmr Chemical Shifts

Scalar Relativistic Effects on 17O NMR Chemical Shifts in Transition-Metal Oxo Complexes. An ab Initio ECP/DFT Study. [Erratum to document cited in CA122:254385]

1995 ◽  
Vol 117 (32) ◽  
pp. 8492-8492 ◽  
Author(s):  
Martin Kaupp ◽  
Vladimir G. Malkin ◽  
Olga L. Malkina ◽  
Dennis R. Salahub
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Chemical Shifts ◽  
Relativistic Effects ◽  
Dft Study ◽  
17O Nmr ◽  
Nmr Chemical Shifts ◽  
Oxo Complexes

Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects

2010 ◽  
Vol 12 (19) ◽  
pp. 5126 ◽  
Author(s):  
Stanislav Standara ◽  
Kateřina Maliňáková ◽  
Radek Marek ◽  
Jaromír Marek ◽  
Michal Hocek ◽  
...  
Keyword(s):  
Chemical Shifts ◽  
Relativistic Effects ◽  
Nmr Chemical Shifts

Are the Steric Effects on the13C-NMR Chemical Shifts of Hydrocarbon Polymers Really Long Range?

1979 ◽  
Vol 12 (2) ◽  
pp. 255-256 ◽  
Author(s):  
Alan E. Tonelli
Keyword(s):  
Long Range ◽  
Chemical Shifts ◽  
Steric Effects ◽  
Nmr Chemical Shifts ◽  
Hydrocarbon Polymers

Long-range transmission of substituent effects on 13 C NMR chemical shifts of imine carbon in benzylidene anilines

2012 ◽  
Vol 26 (3) ◽  
pp. 249-255 ◽  
Author(s):  
Zhengjun Fang ◽  
Chenzhong Cao ◽  
Weihe Wu ◽  
Lu Wang
Keyword(s):  
Long Range ◽  
Chemical Shifts ◽  
Substituent Effects ◽  
Nmr Chemical Shifts ◽  
C Nmr

Long-range relativistic heavy atom effect on 1 H NMR chemical shifts of selenium- and tellurium-containing compounds

2018 ◽  
Vol 119 (3) ◽  
pp. e25809 ◽  
Author(s):  
Yuriy Yu. Rusakov ◽  
Irina L. Rusakova
Keyword(s):  
Long Range ◽  
Chemical Shifts ◽  
Heavy Atom ◽  
Heavy Atom Effect ◽  
Nmr Chemical Shifts ◽  
H Nmr ◽  
Atom Effect
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