【作者】 林国兴； 陈忠； 蔡淑惠； 柯恩烽； 吴钦义；

【Author】 Lin Guoxing Chen Zhong Cai Shuhui Ke Enfeng Wu Qinyi (Department of Chemistry,Xiamen University,Xiamen 361005)

【机构】 厦门大学化学系；

【摘要】 <正>90年代初,Kim和Rees提出K-R固氮模型,在国际上再次引起固氮研究的热潮。为了研究固氮酶催化反应中底物的配合位以及配合的可能情况,黄静伟以乙炔为探针,来研究固氮酶在重水中催化还原乙炔的反应。本文用更多还原

【Abstract】 Since Kim and Rees introduced K-R model of nitrogenase,there has been an increasing international interest in nitrogen fixation study.In order to study the mechanism of nitrogenase, in this paper,we observed the proton NMR spectrum of the reduced product of ethyne that was catalyzed by in D₂O.In order to analysis the spectrum,we made use of group symmetry to simplify the calculation of NMR spectrum of C₂H₂D₂,which structures are shown in Fig.1. C₂H₂D₂ was treated as AA‘XX’ system belonging to C₂ group.We got the final eigenfunctions and eigenvalues of C₂H₂D₂.The calculated spectrum of the proton region of C₂H₂D₂ is given graphically immediately over the observed spectrum of the product in Fig.2（b）.From Fig.2（a）, Fig.2（b） and 2（c）,we can conclude that the product is mainly composed of cis-C₂H₂D₂.There is also some C₂H₃D which may come from HOD in D₂O.We will make further study of the problem why there is more much C₂H₃D in the product than HOD.In C₂H₃D,deuterium produced an upfield shift of 4.0Hz,which was interpreted as the greater electron-releasing capacity on the part of deuterium.The result is consistent with reference [4].In C₂H₂D₂,deuterium produced an upfieid shift that is about twice as large as in C₂H₃D.更多还原