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考虑晶体CsMnBr3中Mn2+离子所处的低对称畸变晶场——D3d对称,用赵等人提出的络合物中Mn2+的SCF d-轨道,研究了MnBr64-中Mn2+的d电子结构以及吸收光谱和晶体结构之间的关系,CsMnBr3晶体吸收光谱在18280cm-1,2170Ocm-1,26300cm-1和29650cm-1等处的分裂得到了理论解释,理论和实验符合很好。Considering distorted octahedral crystal field-D3d point group symmetry of Mn2+ ion in CsMnBr2, crystal and using Zhao's SCF d-orbit of Mn2+ in complex, we have investigated electronic structure and absorption spectra of Mn2+ in MnBr64-. The spectral splittings at 18280cm-1, 21700cm-1, 26300cm-1, and 29650cm-1 have been interpreted by low symmetry crystal field. The theoretical calculations are in good agreement with experiment







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