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旋转坐标系中能级反交叉处的自旋混合使高场SABRE成为可能。

Spin mixing at level anti-crossings in the rotating frame makes high-field SABRE feasible.

作者信息

Pravdivtsev Andrey N, Yurkovskaya Alexandra V, Vieth Hans-Martin, Ivanov Konstantin L

机构信息

International Tomography Center, Siberian Branch of the Russian Academy of Science, Institutskaya 3a, Novosibirsk, 630090, Russia.

出版信息

Phys Chem Chem Phys. 2014 Dec 7;16(45):24672-5. doi: 10.1039/c4cp03765k.

Abstract

A new technique is proposed to carry out Signal Amplification By Reversible Exchange (SABRE) experiments at high magnetic fields. SABRE is a method, which utilizes spin order transfer from para-hydrogen to the spins of a substrate in transient complexes using suitable catalysts. Such a transfer of spin order is efficient at low magnetic fields, notably, in the Level Anti-Crossing (LAC) regions. Here it is demonstrated that LAC conditions can also be fulfilled at high fields in the rotating reference frame under the action of an RF-field. Spin mixing at LACs allows one to polarize substrates at high fields as well; the achievable NMR enhancements are around 360 for the ortho-protons of partially deuterated pyridine used as a substrate and around 700 for H2 and substrate in the active complex with the catalyst. High-field SABRE effects have also been found for several other molecules containing a nitrogen atom in the aromatic ring.

摘要

提出了一种在高磁场下进行可逆交换信号放大(SABRE)实验的新技术。SABRE是一种利用合适的催化剂,在瞬态络合物中将仲氢的自旋序转移到底物自旋上的方法。这种自旋序转移在低磁场下,特别是在能级反交叉(LAC)区域是有效的。本文证明,在射频场的作用下,旋转参考系中的高场也能满足LAC条件。LAC处的自旋混合也能使底物在高场下极化;对于用作底物的部分氘代吡啶的邻位质子,可实现的核磁共振增强约为360,对于与催化剂形成活性络合物的H2和底物,增强约为700。对于其他几种在芳环中含有氮原子的分子,也发现了高场SABRE效应。

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