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

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.