Department of Chemistry and Department of Physics and Astronomy, University of California, Irvine, Irvine, California 92697, United States.
J Chem Theory Comput. 2020 Sep 8;16(9):5784-5791. doi: 10.1021/acs.jctc.0c00416. Epub 2020 Aug 17.
Chiral four-wave mixing signals are calculated using the irreducible tensor formalism. Different polarization and crossing angle configurations allow to single out the magnetic dipole and the electric quadrupole interactions. Other configurations can reveal that the chiral interaction occurs at a given step within the nonlinear interaction pathways. Applications are made to the study of valence excitations of -ibuprofen by chiral stimulated X-ray Raman signals at the carbon K-edge and by chiral visible 2D electronic spectroscopy.
手性四波混频信号使用不可约张量形式来计算。不同的偏振和交叉角配置可以单独区分磁偶极子和电四极子相互作用。其他配置可以揭示手性相互作用发生在非线性相互作用途径中的给定步骤。在手性诱导的 X 射线拉曼光谱和手性可见二维电子光谱研究布洛芬的价激发中应用了这些方法。