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arXiv:2604.25752

Quantum sensing-enabled deuterium NMR spectroscopy with nanoscale sensitivity at low magnetic fields

Dileep Singh, Riley W. Hooper, Christoph Findler, Utsab Banerjee, Dominik B. Bucher

physics.app-phphysics.chem-phquant-phSubmitted Apr 28, 2026• Announced Apr 29, 2026
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Abstract

Nuclear magnetic resonance (NMR) spectroscopy provides unparalleled access to molecular structure and dynamics but is traditionally limited by weak signal strength, requiring large sample volumes and high magnetic fields. Here, we demonstrate nanoscale deuterium (2H) NMR spectroscopy using nitrogen vacancy (NV) centers in diamond, reproducing the characteristic quadrupolar powder line shapes that are present in the conventional bulk NMR spectra. By detecting statistical spin fluctuations from nanometer scale detection volumes, our approach delivers a sensitivity enhancement of six to eight orders of magnitude over inductive detection while operating at magnetic fields two orders of magnitude lower than those used in conventional NMR. Temperature dependent measurements of a deuterated polymer and molecular solid reveal distinct motional averaging and phase transitions with nanoscale sensitivity. Powder-like NV detected 2H NMR establishes a powerful tool for probing molecular dynamics on the nanoscale and, in the ultimate limit, at the single molecule level - capabilities beyond those of most existing spectroscopic techniques.

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Nuclear magnetic resonance (NMR) spectroscopy provides unparalleled access to molecular structure and dynamics but is traditionally limited by weak signal strength, requiring large sample volumes and high magnetic fields. Here, we demonstrate nanoscale deuterium (2H) NMR spectroscopy using nitrogen vacancy (NV) centers in diamond, reproducing the characteristic quadrupolar powder line shapes that are present in the conventional bulk NMR spectra. By detecting statistical spin fluctuations from nanometer scale detection volumes, our approach delivers a sensitivity enhancement of six to eight orders of magnitude over inductive detection while operating at magnetic fields two orders of magnitude lower than those used in conventional NMR. Temperature dependent measurements of a deuterated polymer and molecular solid reveal distinct motional averaging and phase transitions with nanoscale sensitivity. Powder-like NV detected 2H NMR establishes a powerful tool for probing molecular dynamics on the nanoscale and, in the ultimate limit, at the single molecule level - capabilities beyond those of most existing spectroscopic techniques.
Nuclear magnetic resonance (NMR) spectroscopy is a powerful probe of molecular structure and dynamics but typically requires large spin ensembles. Here, we demonstrate nanoscale NMR detection of fluorinated DNA using individual near-surface nitrogen-vacancy (NV) centers in diamond nanopillar waveguides under ambient conditions. We covalently tether 19^{19}19F-labeled oligonucleotides to mixed nitrogen- and oxygen-terminated surfaces, localizing target spins within the nanoscale sensing volume. Probabilistic spin simulations suggest that the measured signals are consistent with those expected from a few molecules and depend strongly on NV-molecule separation, configuration, and local surface heterogeneity. These results establish a framework for NMR of surface-tethered biomolecules and identify key challenges for single-molecule structural elucidation.
Nitrogen vacancy centers in diamond (NVs) are point defects well suited to quantum sensing of magnetic fields. NV spin states can be initialized and read out optically with high spatial resolution, enabling detection of pL-scale volumes of nuclear spins. Using Coherently Averaged Synchronized Readout (CASR), standard NMR spectroscopy techniques such as free decay, spin echo, and PGSE have been performed with Hz-scale spectral resolution using NV-diamond sensors. However, using NV detection for conventional high-resolution NMR at multi-tesla fields is challenging due to the need to manipulate NV electronic spins at resonance frequencies 100 GHz or higher. Low-field J-coupling spectroscopy provides an alternative path to chemical resolution in a regime more easily accessible to NVs. Here, we demonstrate homonuclear and heteronuclear J-coupling spectroscopy using an NV-NMR spectrometer based on permanent magnets operating at $\sim$890 kHz proton Larmor frequency (bias magnetic field $\sim21mT).ThisfieldstrengthenableschemicalcharacterizationbasedonJ−couplingusingsequencessuchasSynchronizedEcho(SyncE)andSpin−EchoDoubleResonance(SEDOR),whichdonotrequirethestrongchemicalshiftdispersionandpristinefieldhomogeneityofhigh−fieldNMR.ThefrequencyrangeiseasilydetectedbyNVsusingstandardXYdynamicaldecouplingsequencesandiswell−suitedforapplyingOverhauserDNP,whichcanboostprotonsignalbytwoordersofmagnitude.WeacquireinitialNV−NMRmeasurementsofT21 mT). This field strength enables chemical characterization based on J-coupling using sequences such as Synchronized Echo (SyncE) and Spin-Echo Double Resonance (SEDOR), which do not require the strong chemical shift dispersion and pristine field homogeneity of high-field NMR. The frequency range is easily detected by NVs using standard XY dynamical decoupling sequences and is well-suited for applying Overhauser DNP, which can boost proton signal by two orders of magnitude. We acquire initial NV-NMR measurements of T21mT).ThisfieldstrengthenableschemicalcharacterizationbasedonJ−couplingusingsequencessuchasSynchronizedEcho(SyncE)andSpin−EchoDoubleResonance(SEDOR),whichdonotrequirethestrongchemicalshiftdispersionandpristinefieldhomogeneityofhigh−fieldNMR.ThefrequencyrangeiseasilydetectedbyNVsusingstandardXYdynamicaldecouplingsequencesandiswell−suitedforapplyingOverhauserDNP,whichcanboostprotonsignalbytwoordersofmagnitude.WeacquireinitialNV−NMRmeasurementsofT_1,T, T,T_2,andOverhauserDNPinglycerolbeforeadvancingtoSEDORspectroscopyofmethanol−, and Overhauser DNP in glycerol before advancing to SEDOR spectroscopy of methanol-,andOverhauserDNPinglycerolbeforeadvancingtoSEDORspectroscopyofmethanol−^{13}Candamethanol−C and a methanol-Candamethanol−^{13}C/acetonitrile−2−C/acetonitrile-2-C/acetonitrile−2−^{13}$C mixture at sample volumes $\sim$50 pL, in which we demonstrate measurement of 1JCH^1J_\text{CH}1JCH​ couplings and resolution between species. We also acquire a homonuclear J-coupling spectrum of a natural-abundance propylene carbonate sample.
Nuclear magnetic resonance (NMR) spectroscopy is widely used in fields ranging from chemistry, materials science to neuroscience. Nanoscale NMR spectroscopy using Nitrogen-vacancy (NV) centers in diamond has emerged as a promising platform due to an unprecedented sensitivity down to the single spin level. At the nanoscale, high nuclear spin polarization through spin fluctuations (statistical polarization) far outweighs thermal polarization. However, until now efficient NMR detection using coherent averaging techniques could not be applied to the detection of statistical polarization, leading to long measurement times. Here we present two protocols to enable coherent averaging of statistically oscillating signals through rectification. We demonstrate these protocols on an artificial radiofrequency signal detected with a single NV center at 2.7 T. The signal-to-noise scaling with number of measurements 𝑁 increases from 𝑁0.5 to 𝑁1, improving the measurement time significantly. The relevance of rectification for the detection of statistically polarized nuclear spins using ensembles of NV centers is outlined, paving the way for efficient nanoscale NMR spectroscopy.
Nuclear magnetic resonance (NMR) spectroscopy is widely used in fields ranging from chemistry and materials science to neuroscience. Nanoscale NMR spectroscopy using nitrogen-vacancy (NV) centers in diamond has emerged as a promising platform due to an unprecedented sensitivity down to the single spin level. At the nanoscale, high nuclear spin polarization through spin fluctuations (statistical polarization) far outweighs thermal polarization. However, until now efficient NMR detection using coherent averaging techniques could not be applied to the detection of statistical polarization, leading to long measurement times. Here we present two protocols to enable coherent averaging of stochastic oscillatory signals through rectification. We demonstrate these protocols on an artificial radio frequency signal detected with a single NV center at 2.7 T. The signal-to-noise scaling with number of measurements N increases from N^{0.5} to N^{1}, improving the measurement time significantly. The relevance of rectification for the detection of statistically polarized nuclear spins using ensembles of NV centers is outlined, paving the way for efficient nanoscale NMR spectroscopy.
Two-dimensional Nuclear Magnetic Resonance (NMR) is essential in molecular structure determination. The Nitrogen-Vacancy (NV) center in diamond has been proposed and developed as an outstanding quantum sensor to realize NMR in nanoscale. In this work, we develop a scheme for two-dimensional nanoscale NMR spectroscopy based on quantum controls on an NV center. We carry out a proof of principle experiment on a target of two coupled 13^{13}13C nuclear spins in diamond. A COSY-like sequences is used to acquire the data on time domain, which is then converted to frequency domain with the fast Fourier transform (FFT). With the two-dimensional NMR spectrum, the structure and location of the set of nuclear spin are resolved. This work marks a fundamental step towards resolving the structure of a single molecule.
Two-dimensional Nuclear Magnetic Resonance (NMR) is essential in molecular structure determination. The Nitrogen-Vacancy (NV) center in diamond has been proposed and developed as an outstanding quantum sensor to realize NMR in nanoscale. In this work, we develop a scheme for two-dimensional nanoscale NMR spectroscopy based on quantum controls on an NV center. We carry out a proof of principle experiment on a target of two coupled 13^{13}13C nuclear spins in diamond. A COSY-like sequences is used to acquire the data on time domain, which is then converted to frequency domain with the fast Fourier transform (FFT). With the two-dimensional NMR spectrum, the structure and location of the set of nuclear spin are resolved. This work marks a fundamental step towards resolving the structure of a single molecule.