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arXiv:1512.03548 · Physical Review Applied

Proposal for Quantum Sensing Based on Two-Dimensional Dynamical Decoupling: NMR Correlation Spectroscopy of Single Molecules

Wen-Long Ma, Ren‐Bao Liu

Published Nov 23, 2016• 13 citations
arXivHTMLPDF

Abstract

In both optics and nuclear magnetic resonance, two-dimensional (2D) spectroscopy has been widely used to study correlations in ensembles of molecules. The authors articulate a scheme for universal 2D quantum sensing based on dynamical decoupling, to measure nuclear spin correlations, and therefore structural features, for a sample consisting of a $s\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}n\phantom{\rule{0}{0ex}}g\phantom{\rule{0}{0ex}}l\phantom{\rule{0}{0ex}}e$ $m\phantom{\rule{0}{0ex}}o\phantom{\rule{0}{0ex}}l\phantom{\rule{0}{0ex}}e\phantom{\rule{0}{0ex}}c\phantom{\rule{0}{0ex}}u\phantom{\rule{0}{0ex}}l\phantom{\rule{0}{0ex}}e$---a holy grail of analytical chemistry. These results also impact NMR-based quantum information processing that employs $e.g.$ N-$V$ centers in diamond.

DOI
10.1103/physrevapplied.6.054012

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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.
Nuclear magnetic resonance (NMR) schemes can be applied to micron-, and nanometer-sized samples by the aid of quantum sensors such as nitrogen vacancy (NV) color centers in diamond. These minute devices allow for magnetometry of nuclear spin ensembles with high spatial and frequency resolution at ambient conditions, thus having a clear impact in different areas such as chemistry, biology, medicine, and material sciences. In practice, NV quantum sensors are driven by microwave (MW) control fields with a twofold objective: On the one hand, MW fields bridge the energy gap between NV and nearby nuclei which enables a coherent and selective coupling among them while, on the other hand, MW fields remove environmental noise on the NV leading to enhanced interrogation time. In this work we review distinct MW radiation patterns, or dynamical decoupling techniques, for nanoscale NMR applications.
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.
Abstract 2D nuclear magnetic resonance (NMR) is essential in molecular structure determination. The nitrogen vacancy (NV) center in diamond is proposed and developed as an outstanding quantum sensor to realize NMR in nanoscale. In this work, a scheme for 2D nanoscale NMR spectroscopy is developed based on quantum controls on an NV center. A proof‐of‐principle experiment on a target of two coupled nuclear spins in diamond is carried out. A correlation spectroscopy (COSY) like sequence is used to acquire the data on time domain, which is then converted to frequency domain with the fast Fourier transform. With the 2D NMR spectrum, the structure and location of the set of nuclear spin are resolved. This work marks a fundamental step toward resolving the structure of a single molecule.
Nuclear Magnetic Resonance (NMR) plays a central role in developing quantum information sciences and technologies. Key features such as its non-invasive nature and the ability to process information on nuclear spins by versatile quantum control designs with electromagnetic fields, have made NMR to become a powerful technique for sensing systems from atomic and molecular scales with spectroscopy to millimeters in imaging. This brief overview provides quantum sensing tools with which we are contributing from Latin America, by combining quantum dynamical control and estimation strategies with NMR methods to probe physical, chemical, and biological processes. It introduces the basic and key concepts on how controlled spin-sensors can monitor the correlation dynamics of their environment, and selectively and optimally infer its relevant parameters. Then these concepts are illustrated with state-of-the-art implementations for characterizing (i) biological tissue microstructure with diffusion weighting imaging, (ii) quantum information dynamics and scrambling in out-of-equilibrium systems with solid-state NMR quantum simulations, and (iii) molecular structures by selective estimation of spin–spin couplings and online learning control designs with experimental proposals. We expect these concepts will motivate the development of quantum dynamical control of spin sensors to monitor systems in a variety of fields, and in particular to exploit the non-invasive strength of NMR, e.g. in biomedical diagnosis. • Quantum control and estimation tools probe physical, chemical, biological processes. • Efficient quantum sensing for maximizing relevant environmental information. • Biological tissue microstructure characterization with diffusion weighting imaging. • Assessing fragility of quantum information dynamics in out-of-equilibrium systems. • Selective estimation of spin–spin couplings and online learning control designs.