University of Oulu

Štěpánek, P., Kantola, A. (2019) Low-Concentration Measurements of Nuclear Spin-Induced Optical Rotation Using SABRE Hyperpolarization. J. Phys. Chem. Lett.10 (18): 5458-5462.

Low-concentration measurements of nuclear spin-induced optical rotation using SABRE hyperpolarization

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Author: Štěpánek, Petr1; Kantola, Anu M.1
Organizations: 1NMR Research Unit, Faculty of Science, University of Oulu, Oulu FI-90014, Finland
Format: article
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 0.7 MB)
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Language: English
Published: American Chemical Society, 2019
Publish Date: 2019-09-20


Nuclear spin-induced optical rotation (NSOR) is a promising phenomenon for molecular structure elucidation due to its sensitivity to electronic structure near atomic nuclei. It is the only experimentally verified nuclear magneto-optic effect (NMOE), so far observed usually in neat liquids or in concentrated binary mixtures, with the proportion of the minor component at least 10%. We report a method to extend the lower-concentration range of NSOR measurements by 2 orders of magnitude by employing continuous-flow SABRE (signal amplification by reversible exchange) hyperpolarization. This approach significantly increases the sensitivity of NSOR and enables its detection in dilute samples, as demonstrated with measurements of NSOR of 90 mmol/L solutions of pyridine and pyrazine. The results are compared with first-principles calculations, and good agreement is found. The possibility to measure low-concentration solutions significantly extends the pool of samples available for further studies of NMOEs.

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Series: Journal of physical chemistry letters
ISSN: 1948-7185
ISSN-E: 1948-7185
ISSN-L: 1948-7185
Volume: 10
Issue: 18
Pages: 5458 - 5462
DOI: 10.1021/acs.jpclett.9b02194
Type of Publication: A1 Journal article – refereed
Field of Science: 114 Physical sciences
116 Chemical sciences
Funding: This project received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement NMOSPEC, No. 654967 (P.Š.). We also thank the Magnus Ehrnrooth Foundation for financial support (P.Š.). The authors acknowledge financial support from the Kvantum institute (University of Oulu) and from the Academy of Finland (Grant 316180) (P.Š.). We acknowledge grants of computer capacity from the Finnish Grid and Cloud Infrastructure (persistent identifier urn:nbn:fi:research-infras-2016072533).
EU Grant Number: (654967) NMOSPEC - Experimental Nuclear Magneto-Optic Spectroscopy
Academy of Finland Grant Number: 316180
Detailed Information: 316180 (Academy of Finland Funding decision)
Copyright information: © 2019 American Chemical Society. This is an open access article published under a Creative Commons Attribution (CC-BY) License, which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.