蔷薇辉石中Fe~(2+)离子的配位对称性研究与光谱分析

来源 :化学物理学报 | 被引量 : 0次 | 上传用户:jywang001
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本文应用赵尚勃等近年来提出的一种简化强场方案,对蔷薇辉石中Fe~(2+)离子的配位对称性与光学吸收谱进行了理论分析。结果表明M_4晶位近于C_2对称,这一点与Marshall和Runciman的估计一致;但能谱的标识与他们很不相同,特别是,基态不是A′而是A″,8000cm~(-1)带不是源于M_4位,而是M_(1-3)位中的O_A跃迁。 In this paper, a scheme of simplified strong field proposed by Zhao Shangbo et al. In recent years is used to theoretically analyze the coordination symmetry and optical absorption spectra of Fe ~ (2+) ions in the Rhodon- The results show that the M_4 crystal position is nearly symmetrical to C_2, which is consistent with Marshall and Runciman’s estimates; however, the sign of the spectrum is very different from them. In particular, the ground state is not A but A and 8000cm -1 Not from the M_4 bits but from the O_A transitions in the M_ (1-3) bits.
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