Preparation and Lifetime Studies of the Singlet State of Five Spins in Hexene Molecules Used to Guide the Preservation of the Parahydrogen-induced Nuclear Polarization State

doi:10.11938/cjmr20223005

Abstract

Abstract:

Parahydrogen-induced polarization (PHIP) technique can greatly enhance the sensitivity of nuclear magnetic resonance (NMR) signals, and has been applied in the fields of magnetic resonance imaging, in situ chemical reaction monitoring, etc. In addition to improving the sensitivity of different molecules in the PHIP, it is also crucial to extend and preserve the high polarization state. To achieve this, a possible approach is to transfer the polarized state into a nuclear spin singlet state. Here, we focus on the singlet states preparation in hexene molecule that can be polarized by PHIP. By designing optimal control pulses, a five-spin system in hexene molecule was manipulated, and various quantum states were prepared respectively. Our results show that three different nuclear spin singlet states could be prepared with the group CH₂=CH- in hexene. The three different nuclear spin singlet states have longer lifetime than that of the initial state polarized by PHIP, and thus can be utilized as the intermediate states to delay the decay of the polarization state. By comparing the lifetime of the singlet state with the longitudinal relaxation time of the corresponding spin, it is deduced that converting the state of the polarized hexene to longitudinal magnetization may also be an effective way to preserve the polarizability.

Key words: parahydrogen-induced polarization (PHIP), nuclear magnetic resonance (NMR), nuclear spin singlet state, optimal control pulse

CLC Number:

O482.53

CI Jie,YANG Xue,XIN Jiaxiang,WEI Daxiu,YAO Yefeng. Preparation and Lifetime Studies of the Singlet State of Five Spins in Hexene Molecules Used to Guide the Preservation of the Parahydrogen-induced Nuclear Polarization State[J]. Chinese Journal of Magnetic Resonance, 2023, 40(1): 30-38.

Figures/Tables 6

Fig. 1

Table 1

Fig. 2

The amplitudes and phases of different optimal control pulses, and the pulse sequence for the experiments. (a1), (c1), (e1) are the amplitudes of unitary transformation ${{U}_{\text{bc}}}$ , ${{U}_{\text{ac}}}$ , ${{U}_{\text{ab}}}$ , respectively. (a2), (c2), (e2) are the phases of unitary transformation ${{U}_{\text{bc}}}$ , ${{U}_{\text{ac}}}$ , ${{U}_{\text{ab}}}$ , respectively. (b1), (d1), (f1) are the amplitudes of unitary transformation ${{{U}'}_{\text{bc}}}$ , ${{{U}'}_{\text{ac}}}$ , ${{{U}'}_{\text{ab}}}$ , respectively. (b2), (d2), (f2) are the phases of unitary transformation ${{{U}'}_{\text{bc}}}$ , ${{{U}'}_{\text{ac}}}$ , ${{{U}'}_{\text{ab}}}$ , respectively. (g) The experimental pulse sequence

Fig. 2

Fig. 3

The 1H NMR spectra. (a) The spectrum after applying a 90 degree single pulse; (b), (c), (d) corresponding to the singlet states $S_{0}^{bc}$ , $S_{0}^{ac}$ , $S_{0}^{ab}$ , respectively

Fig. 3

Table 2

The lifetime values of singlet states and the longitudinal relaxation time values

	$T{{{\rho }'}_{\text{p}}}$	$T_{1\text{S}}^{ab}$	$T_{1\text{S}}^{ac}$	$T_{1\text{S}}^{bc}$	$T_{1}^{{{H}^{a}}}$	$T_{1}^{{{H}^{b}}}$	$T_{1}^{{{H}^{c}}}$
时间/s	2.52±0.03	5.93±0.08	11.02±0.18	8.61±0.07	11.54±0.42	11.52±0.31	14.22±0.41

Table 2

Fig. 4

The relaxation decay curves of the single states $S_{0}^{bc}$ , $S_{0}^{ac}$ , $S_{0}^{ab}$

Fig. 4

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	H^a-H^b	H^c-H^a	H^c-H^b	H^c-H^d	H^c-H^d'	H^d-H^d'
J耦合/Hz	1.58	17.16	10.21	6.73	6.73	-7.5
化学位移差/Hz	-40	-410	-450	-1870	-1870	-