Garbacz Piotr, Fischer Peer, Krämer Steffen
Laboratoire National des Champs Magnétiques Intenses, LNCMI-CNRS, EMFL, UGA-UPS-INSA, BP 166, 38042 Grenoble Cedex 9, France.
Max-Planck-Institut für Intelligente Systeme, Heisenbergstraße 3, 70569 Stuttgart, Germany.
J Chem Phys. 2016 Sep 14;145(10):104201. doi: 10.1063/1.4962285.
Direct detection of molecular chirality is practically impossible by methods of standard nuclear magnetic resonance (NMR) that is based on interactions involving magnetic-dipole and magnetic-field operators. However, theoretical studies provide a possible direct probe of chirality by exploiting an enantiomer selective additional coupling involving magnetic-dipole, magnetic-field, and electric field operators. This offers a way for direct experimental detection of chirality by nuclear magneto-electric resonance (NMER). This method uses both resonant magnetic and electric radiofrequency (RF) fields. The weakness of the chiral interaction though requires a large electric RF field and a small transverse RF magnetic field over the sample volume, which is a non-trivial constraint. In this study, we present a detailed study of the NMER concept and a possible experimental realization based on a loop-gap resonator. For this original device, the basic principle and numerical studies as well as fabrication and measurements of the frequency dependence of the scattering parameter are reported. By simulating the NMER spin dynamics for our device and taking the (19)F NMER signal of enantiomer-pure 1,1,1-trifluoropropan-2-ol, we predict a chirality induced NMER signal that accounts for 1%-5% of the standard achiral NMR signal.
通过基于涉及磁偶极子和磁场算符相互作用的标准核磁共振(NMR)方法,实际上不可能直接检测分子手性。然而,理论研究通过利用涉及磁偶极子、磁场和电场算符的对映体选择性附加耦合,提供了一种可能的手性直接探测方法。这为通过核磁电共振(NMER)直接实验检测手性提供了一条途径。该方法使用共振磁射频(RF)场和电射频(RF)场。不过,手性相互作用较弱,这要求在样品体积上施加一个大的电RF场和一个小的横向RF磁场,这是一个不小的限制。在本研究中,我们对NMER概念进行了详细研究,并基于环形间隙谐振器给出了一种可能的实验实现方案。对于这种原始装置,报告了其基本原理、数值研究以及散射参数频率依赖性的制造和测量。通过模拟我们装置的NMER自旋动力学,并采用对映体纯的1,1,1 - 三氟 - 2 - 丙醇的(19)F NMER信号,我们预测了一种手性诱导的NMER信号,该信号占标准非手性NMR信号的1% - 5%。