Low Concentration Measurements of Nuclear Spin-Induced Optical Rotation Using SABRE Hyperpolarization

26 July 2019, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

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, 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 two orders of magnitude by employing continuous-flow SABRE (signal amplification by reversible exchange) hyperpolarization. This approach significantly increases 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 a good agreement is found. The possibility to measure low concentration solutions significantly extends the pool of samples available for further studies of nuclear magneto-optic effects.

Keywords

nuclear spin-induced optical rotation
SABRE
nuclear magneto-optic effects
Nuclear Magnetic Resonance (NMR)
hyperpolarization

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