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Coherent evolution of singlet spin states in PHOTO-PHIP and M2S experiments

Abstract

A consistent theoretical description of the spin dynamics underlying photo-PHIP (Para-Hydrogen Induced Polarization) experiments is given and validated experimentally: spectra from zero-quantum coherences (ZQC) “in-phase” and “out-of-phase” were obtained and evolution of ZQCs and population of singlet spin state was tracked and modeled. Data from recent literature [O. Torres et al., J. Am. Chem. Soc., 2014] are reinterpreted. Advantages of using M2S sequences such as APSOC for detecting photo-PHIP are demonstrated. A sequence for 2D ZQ spectroscopy based on APSOC is proposed and fundamental principles of ZQ spectroscopy are formulated. This investigation opens a new way to obtain information on the sign of J-couplings using ZQ spectroscopy. The proposed method is also useful to track the redistribution of singlet spin population in various PHIP related experiments that is essential for efficient polarization transfer to target nuclei.

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Publication details

The article was accepted on 04 Sep 2017 and first published on 05 Sep 2017


Article type: Paper
DOI: 10.1039/C7CP04122E
Citation: Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
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    Coherent evolution of singlet spin states in PHOTO-PHIP and M2S experiments

    A. Pravdivtsev, A. V. Yurkovskaya, P. A. Petrov and H. Vieth, Phys. Chem. Chem. Phys., 2017, Accepted Manuscript , DOI: 10.1039/C7CP04122E

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