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本文以曲线拟合方法,找到钼微环境的信息为4Mo—S_1(R=2.35A)+2Mo—Fe(R=2.72A)+Mo—S_2(R=2.45A)+Mo— N(R=2.10A)的组成时,其EXAFS谱与固氨酶C_pI~(Sr)的EXAFS谱最佳拟合。组成为4Mo—S_X(R=2.35A)+2Mo—Fe(R=2.72A)+3Mo—N(R=2.10A)时,与FeMo—Cofactor的EXAFS谱最佳拟合。从而证明我校提出的并联双座(活口)共角(或共边)双立方烷型原子簇结构的固氮酶活性中心模型的合理性。
In this paper, the information of the molybdenum microenvironment was found to be 4Mo-S_1 (R = 2.35A) + 2Mo-Fe (R = 2.72A) + Mo-S_2 (R = 2.10A), the EXAFS spectra fit best with the EXAFS spectra of C_pI ~ (Sr). The best fit to the EXAFS spectrum of FeMo-Cofactor was obtained when the composition was 4Mo-S_X (R = 2.35A) + 2Mo-Fe (R = 2.72A) + 3Mo-N (R = 2.10A) Which proves the rationality of the central model of nitrogenase activity in parallel bi-cubic (orbital) bi-cubic alkane clusters proposed by our school.