scholarly journals A High-resolution13C NMR Study of Some Ethylene Oxide Oligomers, Cryptands and Crown Ethers Complexed with a Variety of Metal Ions in the Solid State. Conformational Change of Ligand Molecules as Viewed from the Conformation-dependent Displacements of13C Chemical Shifts

1985 ◽  
Vol 58 (11) ◽  
pp. 3215-3224 ◽  
Author(s):  
Ryoko Tabeta ◽  
Hazime Saitô
Keyword(s):  
Solid State ◽  
Ethylene Oxide ◽  
Metal Ions ◽  
Conformational Change ◽  
Crown Ethers ◽  
Chemical Shifts ◽  
Nmr Study

Two-dimensional solid-state NMR studies of crystalline poly(ethylene oxide): Conformations and chemical shifts

Polymer ◽  
2005 ◽  
Vol 46 (25) ◽  
pp. 11737-11743 ◽  
Author(s):  
D.J. Harris ◽  
T.J. Bonagamba ◽  
M. Hong ◽  
K. Schmidt-Rohr
Keyword(s):  
Solid State ◽  
Ethylene Oxide ◽  
Solid State Nmr ◽  
Chemical Shifts ◽  
Two Dimensional ◽  
Nmr Studies ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene

Synthesis, X-ray crystal structure, and solid-state 13C NMR study of tris(9-crown-3)triphenylene

2001 ◽  
Vol 79 (2) ◽  
pp. 195-200 ◽  
Author(s):  
Gerald W Buchanan ◽  
Majid F Rastegar ◽  
Glenn PA Yap
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Crown Ether ◽  
Chemical Shifts ◽  
Aromatic Rings ◽  
X Ray ◽  
Nmr Study ◽  
Group A ◽  
C Nmr ◽  
Solid State 13C Nmr

Benzo-9-crown-3 ether trimerizes in the presence of FeCl3 and aqueous H2SO4 to produce tris(9-crown-3)triphenylene in 25.4% yield. This compound crystallizes in the monoclinic P21/c space group: a = 13.759(2) Å, b = 13.318(2) Å, c = 13.399(2) Å, β = 96.883(2)°, with Z = 4. The three 9-crown-3 ether units of the trimer possess different geometries and there is substantial deviation from coplanarity in the three aromatic rings. 13C NMR chemical shifts in the solid state are consistent with this lack of symmetry and are discussed in terms of the X-ray crystal-structure data.Key words: crown ether, trimerization, stereochemistry.

scholarly journals An experimental and theoretical NMR study of NH-benzimidazoles in solution and in the solid state: proton transfer and tautomerism

2014 ◽  
Vol 10 ◽  
pp. 1620-1629 ◽  
Author(s):  
Carla I Nieto ◽  
Pilar Cabildo ◽  
M Ángeles García ◽  
Rosa M Claramunt ◽  
Ibon Alkorta ◽  
...  
Keyword(s):  
Experimental Study ◽  
Solid State ◽  
Proton Transfer ◽  
Chemical Shifts ◽  
Nmr Study

This paper reports the 1H, 13C and 15N NMR experimental study of five benzimidazoles in solution and in the solid state (13C and 15N CPMAS NMR) as well as the theoretically calculated (GIAO/DFT) chemical shifts. We have assigned unambiguously the "tautomeric positions" (C3a/C7a, C4/C7 and C5/C6) of NH-benzimidazoles that, in some solvents and in the solid state, appear different (blocked tautomerism). In the case of 1H-benzimidazole itself we have measured the prototropic rate in HMPA-d 18.

Miscibility of poly(vinyl chloride)/poly(ethylene oxide) blends—I. Thermal properties and solid state 13C-NMR study

1993 ◽  
Vol 29 (11) ◽  
pp. 1477-1481 ◽  
Author(s):  
C. Marco ◽  
M.A. Gömez ◽  
J.G. Fatou ◽  
A. Etxeberria ◽  
M.M. Elorza ◽  
...  
Keyword(s):  
Thermal Properties ◽  
Solid State ◽  
Ethylene Oxide ◽  
Vinyl Chloride ◽  
13C Nmr ◽  
Poly Vinyl Chloride ◽  
Nmr Study ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene ◽  
Solid State 13C Nmr

scholarly journals 14N, 13C, and 119Sn solid-state NMR characterization of tin(II) carbodiimide Sn(NCN)

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Aleksander Jaworski ◽  
Jędrzej Piątek ◽  
Liuda Mereacre ◽  
Cordula Braun ◽  
Adam Slabon
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Chemical Shifts ◽  
Magic Angle Spinning ◽  
Magic Angle ◽  
Quadrupolar Coupling ◽  
Nmr Study ◽  
Nmr Characterization ◽  
Angle Spinning ◽  
High Level

Abstract We report the first magic-angle spinning (MAS) nuclear magnetic resonance (NMR) study on Sn(NCN). In this compound the spatially elongated (NCN)2− ion is assumed to develop two distinct forms: either cyanamide (N≡C–N2−) or carbodiimide (−N=C=N−). Our 14N MAS NMR results reveal that in Sn(NCN) the (NCN)2− groups exist exclusively in the form of symmetric carbodiimide ions with two equivalent nitrogen sites, which is in agreement with the X-ray diffraction data. The 14N quadrupolar coupling constant | C Q | $\vert {C}_{\text{Q}}\vert $  ≈ 1.1 MHz for the −N=C=N− ion in Sn(NCN) is low when compared to those observed in molecular compounds that comprise cyano-type N≡C– moieties ( | C Q | $\vert {C}_{\text{Q}}\vert $  > 3.5 MHz). This together with the information from 14N and 13C chemical shifts indicates that solid-state NMR is a powerful tool for providing atomic-level insights into anion species present in these compounds. The experimental NMR results are corroborated by high-level calculations with quantum chemistry methods.

Cation ion specifically induces a conformational change in trans-dehydroandrosterone – A solid-state NMR study

Steroids ◽  
2015 ◽  
Vol 96 ◽  
pp. 73-80 ◽  
Author(s):  
Darong Wang ◽  
Meiman Chen ◽  
Rong-Jie Chein ◽  
Wei-Min Ching ◽  
Chen-Hsiung Hung ◽  
...  
Keyword(s):  
Solid State ◽  
Conformational Change ◽  
Solid State Nmr ◽  
Nmr Study ◽  
In Trans

Effects of Lithium Doping on the Polymer Chain Dynamics in Siloxane/Poly(Ethylene Oxide) Ormolyte Nanocomposites:  A13C and7Li Exchange Solid-State NMR Study

2007 ◽  
Vol 19 (7) ◽  
pp. 1780-1789 ◽  
Author(s):  
André L. B. S. Bathista ◽  
Eduardo R. deAzevedo ◽  
Antonio C. Bloise ◽  
Karim Dahmouche ◽  
Patrick Judeinstein ◽  
...  
Keyword(s):  
Solid State ◽  
Ethylene Oxide ◽  
Polymer Chain ◽  
Solid State Nmr ◽  
Chain Dynamics ◽  
Lithium Doping ◽  
Nmr Study ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene
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