Structural Nature of 7Li and 11B Sites by Static NMR and MAS NMR in Nonlinear Optical Material LiCsB6O10

Abstract

The relationship between structure and nonlinear optical properties in LiCsB6O10 is characterized using single-crystal nuclear magnetic resonance (NMR) and magic-angle spinning (MAS) NMR. Although the quadrupole parameters for B(1) and B(2) sites were obtained using single-crystal NMR, the T 1 values for these atomic sites could not be distinguished in this way. Thus, the structural nature of lithium and boron sites in LiCsB6O10 was investigated using MAS NMR. B(1) and B(2) sites could be distinguished based on the spectrum and T 1ρ obtained from 11B MAS NMR. In addition, the T 1 and T 1ρ values and activation energies for 7Li and 11B are compared. No significant changes were seen in the T 1ρ at the lithium and boron nuclei in LiCsB6O10.