Hyperpolarized long-lived spin state of methylene protons of 2-bromoethanol obtained from ethylene with non-equilibrium nuclear spin order #DNPNMR

Published: Wednesday, 03 April 2024 - 10:00 -0400

Author: Thorsten Maly

Babenko, Simon V., Sergey V. Sviyazov, Dudari B. Burueva, and Igor V. Koptyug. “Hyperpolarized Long-Lived Spin State of Methylene Protons of 2-Bromoethanol Obtained from Ethylene with Non-Equilibrium Nuclear Spin Order.” Journal of Magnetic Resonance 360 (March 1, 2024): 107648.

https://doi.org/10.1016/j.jmr.2024.107648.

In this work we achieve a significant overpopulation (PLLS≈1%) of the long-lived spin state (LLS) of methylene protons in 2-bromoethan(2H)ol (BrEtOD) obtained in a reaction between ethylene with non-equilibrium nuclear spin order and bromine water. Given all protons in ethylene are magnetically equivalent, its nuclear states are classified into nuclear spin isomers (NSIM) with total spin I = 2,1,0. Addition of parahydrogen to acetylene produces ethylene with a population of only those NSIMs with I = 1,0. As a result of the reaction with bromine water the non-equilibrium spin order of ethylene is partly transferred to the singlet LLS involving the two methylene groups of BrEtOD. The 1H NMR signal enhancement (SE≈200) obtained as a result of the LLS readout is approximately equal to the SE of the hyperpolarized BrEtOD obtained with a single π/4 pulse. The LLS relaxation time (TLLS) was shown to be approximately 40 s (≈8T1) in the argon-bubbled sample.