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. https://doi.org/10.1021/acs.jpclett.9b02194
Low-concentration measurements of nuclear spin-induced optical rotation using SABRE hyperpolarization
|Author:||Štěpánek, Petr1; Kantola, Anu M.1|
1NMR Research Unit, Faculty of Science, University of Oulu, Oulu FI-90014, Finland
|Online Access:||PDF Full Text (PDF, 0.7 MB)|
|Persistent link:|| http://urn.fi/urn:nbn:fi-fe2019092029225
American Chemical Society,
|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.
Journal of physical chemistry letters
|Pages:||5458 - 5462|
|Type of Publication:||
A1 Journal article – refereed
|Field of Science:||
114 Physical sciences
116 Chemical sciences
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 (Academy of Finland Funding decision)
© 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.