Chemical analysis using J-coupling multiplets in zero-field NMR

Theis, Thomas; Blanchard, John W.; Butler, Mark C.; Ledbetter, Michael T.; Budker, Dmitry; Pines, Alexander

doi:10.1016/j.cplett.2013.06.042

Cited by 50 publications

(60 citation statements)

References 23 publications

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“…Such narrow lines can be used for chemical fingerprinting and precise measurement of spin-spin couplings. [18][19][20][21][22][23][24][25] Combined with the ease of obtaining highly homogeneous low fields, ZULF represents a facile route to chemically resolved NMR.…”

mentioning

confidence: 99%

Invited Review Article: Instrumentation for nuclear magnetic resonance in zero and ultralow magnetic field

Tayler

Theis

Sjolander

et al. 2017

Review of Scientific Instruments

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We review experimental techniques in our laboratory for nuclear magnetic resonance (NMR) in zero and ultralow magnetic field (below 0.1 μT) where detection is based on a low-cost, non-cryogenic, spin-exchange relaxation free Rb atomic magnetometer. The typical sensitivity is 20-30 fT/Hz for signal frequencies below 1 kHz and NMR linewidths range from Hz all the way down to tens of mHz. These features enable precision measurements of chemically informative nuclear spin-spin couplings as well as nuclear spin precession in ultralow magnetic fields.

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mentioning

confidence: 99%

Invited Review Article: Instrumentation for nuclear magnetic resonance in zero and ultralow magnetic field

Tayler

Theis

Sjolander

et al. 2017

Review of Scientific Instruments

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110

125

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“…Dipolar couplings have long been used in high-field NMR to provide structural information in addition to the chemical shift. Previous work demonstrated zero-field J-spectroscopy of several systems for chemical analysis [23][24][25]. Additional information may also be obtained from zero-field NMR spectra via application of weak magnetic fields [4].…”

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confidence: 99%

Measurement of untruncated nuclear spin interactions via zero- to ultralow-field nuclear magnetic resonance

et al. 2015

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Zero-to ultra-low-field nuclear magnetic resonance (ZULF NMR) provides a new regime for the measurement of nuclear spin-spin interactions free from effects of large magnetic fields, such as truncation of terms that do not commute with the Zeeman Hamiltonian. One such interaction, the magnetic dipole-dipole coupling, is a valuable source of spatial information in NMR, though many terms are unobservable in high-field NMR, and the coupling averages to zero under isotropic molecular tumbling. Under partial alignment, this information is retained in the form of so-called residual dipolar couplings. We report zero-to ultra-low-field NMR measurements of residual dipolar couplings in acetonitrile-2-13 C aligned in stretched polyvinyl acetate gels. This represents the first investigation of dipolar couplings as a perturbation on the indirect spin-spin J-coupling in the absence of an applied magnetic field. As a consequence of working at zero magnetic field, we observe terms of the dipole-dipole coupling Hamiltonian that are invisible in conventional high-field NMR. This technique expands the capabilities of zero-to ultra-low-field NMR and has potential applications in precision measurement of subtle physical interactions, chemical analysis, and characterization of local mesoscale structure in materials.

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“…As such, there are several strong Jcouplings, leading to a complex spectrum that is not easily described in terms of a simple strongly coupled XA n subsystem perturbed by additional weaker long-range couplings, as in Refs. [1][2][3]. The result is that the spectrum contains peaks across a comparatively wide range, as can be seen in Fig.7.…”

Section: Formamide-15 Nmentioning

confidence: 99%

“…Furthermore, working at highfield also serves to "truncate" second-order effects arising from nuclear spin interactions that do not commute with the Zeeman Hamiltonian. Zero-to ultralow-field (ZULF) NMR is a recently developed alternative method that does not utilize strong magnetic fields [1][2][3][4][5], at least not for encoding and detection. Due to the high absolute field homogeneity and the absence of some relaxation pathways such as those related to chemical-shift anisotropy, ZULF NMR frequently achieves narrow resonance linewidths in the order of tens of mHz, allowing for precise measurement of spin-spin interactions.…”

Section: Introductionmentioning

confidence: 99%

A method for measurement of spin-spin couplings with sub-mHz precision using zero- to ultralow-field nuclear magnetic resonance

Wilzewski

Afach

Blanchard

et al. 2017

Journal of Magnetic Resonance

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We present a method which allows for the extraction of physical quantities directly from zero- to ultralow-field nuclear magnetic resonance (ZULF NMR) data. A numerical density matrix evolution is used to simulate ZULF NMR spectra of several molecules in order to fit experimental data. The method is utilized to determine the indirect spin-spin couplings (J-couplings) in these systems, which is achieved with precision of 10-10Hz. The simulated and measured spectra are compared to earlier research. Agreement and improved precision are achieved for most of the J-coupling estimates. The availability of fast, flexible fitting method for ZULF NMR enables a new generation of precision-measurement experiments for spin-dependent interactions and physics beyond the Standard Model.

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Chemical analysis using J-coupling multiplets in zero-field NMR

Cited by 50 publications

References 23 publications

Invited Review Article: Instrumentation for nuclear magnetic resonance in zero and ultralow magnetic field

Invited Review Article: Instrumentation for nuclear magnetic resonance in zero and ultralow magnetic field

Measurement of untruncated nuclear spin interactions via zero- to ultralow-field nuclear magnetic resonance

A method for measurement of spin-spin couplings with sub-mHz precision using zero- to ultralow-field nuclear magnetic resonance

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