Analysis of the Hypersensitivity of the 29Si NMR Chemical Shift of the Pentacoordinate Silicon Compounds to the Temperature Effect. N-(Silylmethyl)acetamides

2015 ◽  
Vol 119 (15) ◽  
pp. 3663-3673 ◽  
Author(s):  
Evgeniya P. Doronina ◽  
Valery F. Sidorkin ◽  
Nataliya F. Lazareva
Keyword(s):  
Chemical Shift ◽  
Temperature Effect ◽  
29Si Nmr ◽  
Nmr Chemical Shift ◽  
Silicon Compounds ◽  
Pentacoordinate Silicon

Origin of the 29Si NMR chemical shift in R3Si–X and relationship to the formation of silylium (R3Si+) ions

2020 ◽  
Vol 49 (45) ◽  
pp. 16453-16463 ◽  
Author(s):  
Winn Huynh ◽  
Matthew P. Conley
Keyword(s):  
Chemical Shift ◽  
Chemical Shifts ◽  
29Si Nmr ◽  
Surface Oxygen ◽  
Nmr Chemical Shift ◽  
Dft Methods ◽  
Nmr Chemical Shifts

The origin in deshielding of 29Si NMR chemical shifts in R3Si–X, where X = H, OMe, Cl, OTf, [CH6B11X6], toluene, and OX (OX = surface oxygen), as well as iPr3Si+ and Mes3Si+ were studied using DFT methods.

An ab initio study of the effect on the 29Si NMR chemical shift of dihydroxysilane of geometry changes expected on approach to a surface

1996 ◽  
Vol 248 (3-4) ◽  
pp. 173-178 ◽  
Author(s):  
N.J. Clayden ◽  
E.A. Moore ◽  
W.L. Selina ◽  
D.R. Roberts
Keyword(s):  
Chemical Shift ◽  
Ab Initio ◽  
29Si Nmr ◽  
Ab Initio Study ◽  
Nmr Chemical Shift

Temperature effect on the 13C NMR chemical shift of pressurized CO2 containing selected modifiers

2000 ◽  
Vol 56 (9) ◽  
pp. 1781-1786
Author(s):  
T.R. Varga ◽  
Zs. Fazekas ◽  
S. Katoh ◽  
M. Harada ◽  
Y. Ikeda ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Temperature Effect ◽  
13C Nmr ◽  
Nmr Chemical Shift

Influence of the cation distribution in zeolites on the isotropic 29Si NMR chemical shift

1985 ◽  
Vol 119 (4) ◽  
pp. 361-364 ◽  
Author(s):  
P.J. Grobet ◽  
W.J. Mortier ◽  
K. Van Genechten
Keyword(s):  
Chemical Shift ◽  
Cation Distribution ◽  
29Si Nmr ◽  
Nmr Chemical Shift

29Si NMR Chemical Shift Tensor and Electronic Structure of 7-Silanorbornadienes

Silicon ◽  
2010 ◽  
Vol 2 (4) ◽  
pp. 217-227 ◽  
Author(s):  
Claudia Gerdes ◽  
Julia Schuppan ◽  
Arnd-Rüdiger Grimmer ◽  
Michael Bolte ◽  
Wolfgang Saak ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Chemical Shift ◽  
Chemical Shift Tensor ◽  
29Si Nmr ◽  
Nmr Chemical Shift

IGLO Calculations of 29Si NMR Chemical Shift Anisotropies in Silicate Models

1993 ◽  
pp. 385-399
Author(s):  
R. Wolff ◽  
C. Vogel ◽  
R. Radeglia
Keyword(s):  
Chemical Shift ◽  
29Si Nmr ◽  
Nmr Chemical Shift

scholarly journals Is hydrogen electronegativity higher than Pauling’s value? New clues from the 13C and 29Si NMR chemical shifts of [CHF3] and [SiHF3] molecules

2019 ◽  
Vol 91 (10) ◽  
pp. 1679-1686
Author(s):  
Michele Benedetti ◽  
Federica De Castro ◽  
Antonella Ciccarese ◽  
Francesco Paolo Fanizzi
Keyword(s):  
Chemical Shift ◽  
Chemical Shifts ◽  
29Si Nmr ◽  
Nmr Chemical Shift ◽  
Nmr Chemical Shifts

Abstract We previously demonstrated that the δ NMR chemical shift of central NMR active atoms (A), in simple halido [AXn] (A=C, Si, Ge, Sn, Pb, Pt; Xn = combination of n halides, n = 4 or 6) derivatives, could be directly related to X radii overall sum, Σ(rL). Further correlation have also been observed for tetrahedral [AX4] (A=C, Si; X4 = combination of four halides) compounds where the X Pauling electronegativities sum, $\Sigma (\chi _L^{{\rm{Pau}}}),$ exceeds a specific value (≈12.4). In this work, we focused on these latter systems considering the H vs. X substitution. The analysis of the literature reported δ(13C) and δ(29Si) NMR chemical shift for the mono hydrogenated derivatives and in particular for [CHF3] and [SiHF3], characterized by the lowest Σ(rL) and the highest $\Sigma (\chi _L^{{\rm{Pau}}}),$ suggests a revised value for the H electronegativity ranking with respect to Pauling’s.

29Si NMR Chemical Shift Calculation for Silicate Species by Gaussian Software

2005 ◽  
Vol 74 (5) ◽  
pp. 1609-1620 ◽  
Author(s):  
S. N. Azizi ◽  
A. A. Rostami ◽  
A. Godarzian
Keyword(s):  
Chemical Shift ◽  
29Si Nmr ◽  
Nmr Chemical Shift ◽  
Shift Calculation
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