<sup>13</sup>C NMR study of substituted nitronaphthalenes

Mechin, B.; Richer, Jean Claude; Odiot, S.

doi:10.1002/mrc.1270140202

Cited by 22 publications

(2 citation statements)

References 27 publications

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“…The degeneracy of carbons in III − V due to molecular symmetry greatly simplifies the assignment process. All assignments, shown in Table , may be made based on the agreement between the solution , and the solid-state isotropic chemical shifts. Furthermore, these assignments are supported by the theoretical predictions.…”

Section: Resultsmentioning

confidence: 99%

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Solid-State ¹³C NMR Measurements in Methoxynaphthalenes: Determination of the Substituent Chemical Shift Effects in the Principal Values

Orendt

Jiang

et al. 1997

J. Phys. Chem. A

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The principal values of the 13 C chemical shift tensor are measured in 1-methoxy-, 2-methoxy-, 1,4-dimethoxy-, 2,6-dimethoxy-, and 2,7-dimethoxynaphthalene using the triple echo version of the 2D magic angle turning (MAT) experiment. In the case of 1-methoxynaphthalene, a room-temperature liquid, the experiment was performed at low temperature. Assignments of the measured principal values of the chemical shift tensors to the individual carbons are made by both comparison of the solid-state isotropic chemical shift to the known solution values and comparison of the experimental principal values to the results of ab initio calculations of the chemical shielding tensor. The methoxy group substituent chemical shift parameters for each of the three components is determined relative to the parent unsubstituted naphthalene for the protonated and ipso carbons. The substituent parameters are very similar to those previously observed for methoxy substituted benzenes. The bond populations, determined using ab initio methods, are used to show how sensitive the orientation of the in-plane components of the chemical shift tensor is to the electronic distribution in aromatic systems.

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Section: Resultsmentioning

confidence: 99%

“…g Components for C 6,7 are not observed in the slice taken at an isotropic chemical shift of 127.0 ppm because of overlap with the pattern of C 4a,8a . h Solution assignments from ref .…”

Section: Resultsmentioning

confidence: 99%

Solid-State ¹³C NMR Measurements in Methoxynaphthalenes: Determination of the Substituent Chemical Shift Effects in the Principal Values

Orendt

Jiang

et al. 1997

J. Phys. Chem. A

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Conformational effect on carbon‐13 chemical shifts of substituted 3,5‐dimethylbenzenes

Salman

Kamounah

1987

Magnetic Reson in Chemistry

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Use of an internal reference in ¹³C chemical shift measurements

Kowalewski

Santos

Marceca

1990

Magnetic Reson in Chemistry

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The use of the nominal value of the chemical shift of the solvent to calibrate the spectrometer in 13C NMR spectroscopy was found to introduce errors due to the effect which the solute has on the solvent. In addition, hexamethyldisiloxane (HM) is proposed as an internal standard; owing to its high boiling point it is easier to manipulate than tetramethylsilane (TMS) and it is therefore possible to prepare solutions of known concentrations. In order to convert the data obtained with this standard to the TMS scale, the chemical shift of HM was determined in 16 solvents using cyclohexane as external standard in a spherical cell (5% w/w concentration of HM) as a function of the solvent factor gz. Comparing these results with a similar plot obtained previously for TMS by other workers, it is possible to convert one type of data to the other by a simple linear expression.

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¹³C NMR study of substituted nitronaphthalenes

Cited by 22 publications

References 27 publications

Solid-State ¹³C NMR Measurements in Methoxynaphthalenes: Determination of the Substituent Chemical Shift Effects in the Principal Values

Solid-State ¹³C NMR Measurements in Methoxynaphthalenes: Determination of the Substituent Chemical Shift Effects in the Principal Values

Conformational effect on carbon‐13 chemical shifts of substituted 3,5‐dimethylbenzenes

Use of an internal reference in ¹³C chemical shift measurements

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13C NMR study of substituted nitronaphthalenes

Cited by 22 publications

References 27 publications

Solid-State 13C NMR Measurements in Methoxynaphthalenes: Determination of the Substituent Chemical Shift Effects in the Principal Values

Solid-State 13C NMR Measurements in Methoxynaphthalenes: Determination of the Substituent Chemical Shift Effects in the Principal Values

Conformational effect on carbon‐13 chemical shifts of substituted 3,5‐dimethylbenzenes

Use of an internal reference in 13C chemical shift measurements

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Product

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¹³C NMR study of substituted nitronaphthalenes

Solid-State ¹³C NMR Measurements in Methoxynaphthalenes: Determination of the Substituent Chemical Shift Effects in the Principal Values

Solid-State ¹³C NMR Measurements in Methoxynaphthalenes: Determination of the Substituent Chemical Shift Effects in the Principal Values

Use of an internal reference in ¹³C chemical shift measurements