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稀土硼酸盐在真空紫外 (VUV)波段的吸收与化合物中硼酸根离子的结构有关 ,扩展 Hückel计算表明 ,硼酸根离子中的 B— O成键轨道与 B— O反键轨道能量差按 BO5- 4>B2 O4 - 5>BO3- 3 >B3O9- 9顺序减小 ,这与 VUV激发光谱的实验结果一致 ,表明 VUV激发过程对应于电子从 B— O成键轨道向反键轨道的跃迁 .
The absorption of rare earth borates in the vacuum ultraviolet (VUV) band is related to the structure of borate ions in the compounds. The extended Hückel calculation shows that the energy difference between the B-O bonding or B-O antibonding orbital in the borate ions is less than or equal to BO5 - 4> B2 O4 - 5> BO3 - 3> B3O9 - 9, which is consistent with the experimental results of VUV excitation spectroscopy, indicating that the VUV excitation process corresponds to the transition of the electron from the B-O bonding orbital to the antibonding orbital.