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Related Concept Videos

¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied first.
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are slanted or...
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

The spin state of an NMR-active nucleus can have a slight effect on its immediate electronic environment. This effect propagates through the intervening bonds and affects the electronic environments of NMR-active nuclei up to three bonds away; occasionally, even farther. This phenomenon is called spin–spin coupling or J-coupling. Coupling interactions are mutual and result in small changes in the absorption frequencies of both nuclei involved. While nuclei of the same element are involved in...
¹H NMR Signal Multiplicity: Splitting Patterns01:13

¹H NMR Signal Multiplicity: Splitting Patterns

When protons A and X are coupled, their nuclear spin energy levels are slightly modified. This is because the energy required to excite proton A to a spin state parallel to proton X is slightly different from the energy required for it to become anti-parallel to spin X. Consequently, there are two possible excitation frequencies for A (A1 and A2), depending on the spin state of X, and vice versa. The mutual nature of coupling implies that the difference between frequencies A1 and A2, indicated...
Interpreting ¹H NMR Signal Splitting: The (n + 1) Rule01:10

Interpreting ¹H NMR Signal Splitting: The (n + 1) Rule

In the AX proton spin system, proton A can sense the two spin states of a coupled proton X, resulting in a doublet NMR signal with two peaks of equal (1:1) intensity. When proton A is coupled to two equivalent protons (AX2 spin system), the spin states of each X can be aligned with or against the external field, creating three possible scenarios. This results in a 1:2:1  triplet signal, where the central peak corresponds to the chemical shift of A and is twice as large or intense as the others.
Double Resonance Techniques: Overview01:12

Double Resonance Techniques: Overview

Double resonance techniques in Nuclear Magnetic Resonance (NMR) spectroscopy involve the simultaneous application of two different frequencies or radiofrequency pulses to manipulate and observe two distinct nuclear spins. One important application of double resonance is spin decoupling, which selectively suppresses coupling with one type of nucleus while observing the NMR signal from another nucleus, simplifying the spectrum and enhancing resolution.
Spin decoupling is usually achieved by...

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Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
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Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

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A simple technique for determining nuclear quadrupole coupling constants with RAPT solid-state NMR spectroscopy.

Subramanian Prasad1, Hyung-Tae Kwak, Ted Clark

  • 1Department of Chemistry, Ohio State University, 120 West 18th Avenue, Columbus, Ohio 43210, USA.

Journal of the American Chemical Society
|May 2, 2002
PubMed
Summary

A new Rotor Assisted Population Transfer (RAPT) method offers a fast way to measure nuclear quadrupolar coupling constants for half-integer nuclei. This technique was successfully demonstrated for Rubidium-87 and Aluminum-27.

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Area of Science:

  • Nuclear Magnetic Resonance (NMR) Spectroscopy
  • Solid-State Chemistry
  • Quantum Information Science

Background:

  • Nuclear quadrupolar coupling is a key parameter for understanding the local electronic environment in solids.
  • Accurate measurement of quadrupolar coupling constants is crucial for materials characterization and quantum applications.
  • Existing methods for measuring quadrupolar coupling constants can be time-consuming or require specialized equipment.

Purpose of the Study:

  • To present an enhanced Rotor Assisted Population Transfer (RAPT) experiment for efficient measurement of nuclear quadrupolar coupling constants.
  • To demonstrate the utility of the enhanced RAPT sequence for half-integer quadrupolar nuclei.
  • To explore the application of RAPT in selective resonance suppression.

Main Methods:

  • Development of an enhanced RAPT pulse sequence utilizing a train of Gaussian pulses with alternating off-resonant frequencies.
  • Application of the enhanced RAPT sequence to measure quadrupolar coupling constants for spin-3/2 (87Rb) and spin-5/2 (27Al) nuclei.
  • Simulation and experimental validation of the proposed RAPT method.

Main Results:

  • The enhanced RAPT experiment provides a simple and fast method for determining nuclear quadrupolar coupling constants.
  • Accurate measurements were obtained for 87Rb and 27Al nuclei, validating the technique.
  • The RAPT sequence demonstrated effectiveness in selectively suppressing resonances based on their quadrupolar coupling constant magnitude.

Conclusions:

  • The enhanced RAPT technique is a valuable tool for rapid and accurate determination of nuclear quadrupolar coupling constants in half-integer quadrupolar nuclei.
  • This method simplifies NMR studies of quadrupolar nuclei and has potential applications in materials science and quantum computing.
  • The RAPT sequence offers a versatile approach for both quantitative measurements and selective spectral editing.