Physical properties of the nonlinear optical material Li2B4O7 studied by static NMR and MAS NMR

• Nonlinear optical properties of Li2B4O7.
• 3-coordinate BO3 and 4-coordinate BO4.
• Spin-lattice relaxation time.

The mechanisms behind the nonlinear optical (NLO) properties of Li2B4O7 are characterized by 7Li static nuclear magnetic resonance (NMR) and magic-angle spinning (MAS) NMR. Furthermore, the structural nature of 3-coordinate BO3 and 4-coordinate BO4 groups is also characterized by the same method. For 7Li and 11B, the spin-lattice relaxation time T1 in laboratory frame gradually decreases with increasing temperature, whereas the spin-lattice relaxation time T1ρ in rotating frame, which differs from T1, is nearly constant. In addition, the activation energies of 7Li and 11B, which are obtained via the values of T1 and T1ρ, are also compared.

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