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Journal of Physics A Mathematical and General

The pseudopure state in homonuclear dipolar coupling spin systems

G. B. Furman

Published Nov 21, 2006• 13 citations
Publisher

Abstract

Preparation of the pseudopure states in homonuclear systems of dipolar coupling spins is closely examined. An extremely important role of the non-diagonal part of zeroth-order coherence in the construction of the pseudopure state has been shown. Simulations of the preparation process of pseudopure states with the real molecular structures (a rectangular (1-chloro-4-nitrobenzene molecule), a chain (hydroxyapatite molecule), a ring (benzene molecule) and a double ring (cyclopentane molecule)) open the way to experimental NMR testing of the obtained results. The proposed method could be considered as a fruitful technology for quantum computation.

DOI
10.1088/0305-4470/39/49/008

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arXiv:quant-ph/0508011•Applied Physics Letters•Nov 10, 2005•16 citations
Preparation of the pseudopure states in homonuclear systems of dipolar coupling spins is closely examined. An extremely important role of the non-diagonal part of zeroth-order coherence in the construction of the pseudopure state has been shown. Simulations of the preparation process of pseudopure states with the real molecular structures (a rectangular (1-chloro-4-nitrobenzene molecule), a chain (hydroxyapatite molecule), a ring (benzene molecule) and a double ring (cyclopentane molecule)) open the way to experimental NMR testing of the obtained results. The proposed method could be considered as a fruitful technology for quantum computation.
Dynamics of zeroth order quantum coherences and preparation of the pseudopure states in homonuclear systems of dipolar coupling spins is closely examined. It has been shown an extreme important role of the non-diagonal part of zeroth order coherence in construction of the pseudopure state. Simulations of the preparation process of pseudopure states with the real molecular structures (a rectangular (-chloro- -nitrobenzene molecule), a chain (hydroxyapatite molecule), a ring (benzene molecule), and a double ring (cyclopentane molecule)) open the way to experimental testing of the obtained results.
We investigate numerically the multiple quantum (MQ) NMR dynamics in systems of nuclear spins 1/2 coupled by dipole-dipole interactions in the case of the pseudopure initial state. Simulations of the MQ NMR with real molecular structures such as six dipolar-coupled proton spins of benzene, hydroxyl proton chains in calcium hydroxyapatite, and fluorine chains in calcium fluorapatite open the way to experimental NMR testing of the obtained results. It was found that multiple-spin correlations are created faster in such experiments than in the usual MQ NMR experiments and can be used for the investigation of many-spin dynamics of nuclear spins in solids.
We investigate numerically the appearance and evolution of entanglement in spin systems prepared initially in a pure state. We consider the dipolar coupling spin systems of different molecular structures: benzene C6H6{\text{C}}_{6}{\text{H}}_{6}C6​H6​, cyclopentane C5H10{\text{C}}_{5}{\text{H}}_{10}C5​H10​, sodium butyrate CH3(CH2)2CO2Na{\text{CH}}_{3}{({\text{CH}}_{2})}_{2}{\text{CO}}_{2}\text{Na}CH3​(CH2​)2​CO2​Na, and calcium hydroxyapatite Ca5(OH)(PO4)3{\text{Ca}}_{5}(\text{OH}){({\text{PO}}_{4})}_{3}Ca5​(OH)(PO4​)3​. Numerical simulations show that the close relationship exists between the intensity of second order (2Q) coherences and concurrences of nearest spins in a cyclopentane molecule.