Cesium-133 single-crystal NMR study of cesium chromate

Power, William P.; Mooibroek, Sandra; Wasylishen, Roderick E.; Cameron, T. Stanley

doi:10.1021/j100057a005

Cited by 45 publications

(56 citation statements)

References 12 publications

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“…The magnitude and relative orientation of the CS tensors may be important, for example, in obtaining quantitative results from the rotational resonance 5 experiments recently introduced for half-integer quadrupolar nuclei, 6,7 especially for nuclei with relatively small or moderate quadrupole moments such as 11 B (Q ) 40.59 mb). 8 An ongoing line of research in our group has been the characterization of chemical shift tensors of half-integer quadrupolar nuclei, e.g., cesium, 9 molybdenum, 10 aluminum, 11 copper, 12 and beryllium. 13 Here, we extend this work to boron.…”

Section: Introductionmentioning

confidence: 99%

Characterization of Tricoordinate Boron Chemical Shift Tensors: Definitive High-Field Solid-State NMR Evidence for Anisotropic Boron Shielding

2001

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Despite the large known chemical shift (CS) range for boron and the large number of 11 B NMR studies of glasses, no boron CS tensors have been characterized to date. We report the application of solid-state NMR techniques at moderate (9.4 T) and high (17.63 T) applied magnetic field strengths to the characterization of the boron CS tensors in trimesitylborane (BMes 3 ) and triphenyl borate (B(OPh) 3 ). The boron CS tensor of the former compound exhibits a remarkably large span, Ω ) 121 ( 1 ppm, which encompasses the known range of isotropic chemical shifts for tricoordinate boron compounds. Conversely, the effect of the boron CS tensor on the 11 B NMR spectra of B(OPh) 3 is difficult to observe and quantify even at field strengths as high as 17.63 T; we find Ω e 10 ppm. This marked difference in the boron nuclear magnetic shielding tensors is reproduced accurately by a series of ab initio and DFT calculations with a range of basis sets. The difference is rationalized in the context of Ramsey's theory of nuclear magnetic shielding by considering contributions to the paramagnetic shielding in the tricoordinate boron plane. Differences in the in-plane shielding tensor components for the molecules considered are a result of variations in the effectiveness of the mixing of occupied σ orbitals with virtual π orbitals under the influence of an applied magnetic field. A similar explanation has been invoked to rationalize 13 C isotropic chemical shifts in classical and nonclassical carbocations. We also report experimental and calculated boron nuclear quadrupolar coupling constants and asymmetry parameters for BMes 3 and B(OPh) 3 . A combination of experimental and theoretical results provides the orientation of the CS and electric field gradient tensors in the molecular framework.

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Section: Introductionmentioning

confidence: 99%

Characterization of Tricoordinate Boron Chemical Shift Tensors: Definitive High-Field Solid-State NMR Evidence for Anisotropic Boron Shielding

2001

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“…This is a very small angle in comparison with those in the literature. 17 The values for the principal components of the chemical shift tensor are δ11 = 46(1), δ22 = 61(1), δ33 = -30(1) ppm. The quadrupole coupling constant and the asymmetry parameter are QCC = 581 (1) kHz and η = 0.481 (1), respectively.…”

Section: Methodsmentioning

confidence: 99%

Single Crystal¹³³Cs NMR Study of Cs⁺(15-Crown-5)₂I^-

2004

Bulletin of the Korean Chemical Society

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“…It is NMR receptive, with a spin-quantum number of 7/2. 44 As an aside, this is an attribute that is well elicited in stretched gelatin gels. 45 Although it is a quadrupolar nucleus, and may give broad NMR resonances as a result, this is not a major problem with modern high field NMR spectrometers.…”

Section: Cs Nmr and Rbcsmentioning

confidence: 98%

The interaction of sterically stabilized magnetic nanoparticles with fresh human red blood cells

Pham¹,

Jain²,

Kuchel³

et al. 2015

IJN

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Sterically stabilized superparamagnetic iron oxide nanoparticles (SPIONs) were incubated with fresh human erythrocytes (red blood cells [RBCs]) to explore their potential application as magnetic resonance imaging contrast agents. The chemical shift and linewidth of 133 Cs + resonances from inside and outside the RBCs in 133 Cs nuclear magnetic resonance spectra were monitored as a function of time. Thus, we investigated whether SPIONs of two different core sizes and with three different types of polymeric stabilizers entered metabolically active RBCs, consuming glucose at 37°C. The SPIONs broadened the extracellular 133 Cs + nuclear magnetic resonance, and brought about a small change in its chemical shift to a higher frequency; while the intracellular resonance remained unchanged in both amplitude and chemical shift. This situation pertained over incubation times of up to 90 minutes. If the SPIONs had entered the RBCs, the intracellular resonance would have become broader and possibly even shifted. Therefore, we concluded that our SPIONs did not enter the RBCs. In addition, the T 2 relaxivity of the small and large particles was 368 and 953 mM −1 s −1 , respectively (three and nine times that of the most effective commercially available samples). This suggests that these new SPIONs will provide a superior performance to any others reported thus far as magnetic resonance imaging contrast agents.

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Cesium-133 single-crystal NMR study of cesium chromate

Cited by 45 publications

References 12 publications

Characterization of Tricoordinate Boron Chemical Shift Tensors: Definitive High-Field Solid-State NMR Evidence for Anisotropic Boron Shielding

Characterization of Tricoordinate Boron Chemical Shift Tensors: Definitive High-Field Solid-State NMR Evidence for Anisotropic Boron Shielding

Single Crystal¹³³Cs NMR Study of Cs⁺(15-Crown-5)₂I^-

The interaction of sterically stabilized magnetic nanoparticles with fresh human red blood cells

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Cesium-133 single-crystal NMR study of cesium chromate

Cited by 45 publications

References 12 publications

Characterization of Tricoordinate Boron Chemical Shift Tensors: Definitive High-Field Solid-State NMR Evidence for Anisotropic Boron Shielding

Characterization of Tricoordinate Boron Chemical Shift Tensors: Definitive High-Field Solid-State NMR Evidence for Anisotropic Boron Shielding

Single Crystal133Cs NMR Study of Cs+(15-Crown-5)2I-

The interaction of sterically stabilized magnetic nanoparticles with fresh human red blood cells

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Single Crystal¹³³Cs NMR Study of Cs⁺(15-Crown-5)₂I^-