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dc.contributor.author陈忠
dc.contributor.author林国兴
dc.contributor.author徐昕
dc.contributor.author黄静伟
dc.contributor.author万惠霖
dc.contributor.author蔡启瑞
dc.contributor.author蔡淑惠
dc.date.accessioned2012-05-30T02:36:21Z
dc.date.available2012-05-30T02:36:21Z
dc.date.issued1999-08
dc.identifier.citation化学学报,1999,57(907-913)zh_CN
dc.identifier.issn0567-7351
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/12557
dc.description联系人:陈忠:男,34岁,博士,副教授zh_CN
dc.description.abstract[中文摘要]用~1H NMR研究了固氮酶在重水中催化还原乙炔的反应产物氘代乙烯.利用群对称性对~1HNMR谱图进行了归属,计算了几种可能的C_2H_2D_2结构以及C_2H_3D结构的NMH谱线频率和强度,得出了理论谱.通过理论谱与实验谱的比较,表明固氮酶在重水中催化还原乙炔的产物主要以顺式结构C_2H_2D_2为主,并含有较多的单氘代乙烯.单氕代乙烯相对乙烯的化学位移往高场移动约4.0Hz,而双氘代乙烯向高场的位移大约是单氘代乙烯的2倍左右.[英文摘要]The products of the catalytic reduction ethyne by nitrogenase in D2O were studied by 1H NMR. In order to assign the H NMR spectrum, the theoretical spectra of C2H2D2 were calculated using group symmetry. The final eigenfunctions, eigenvalues, allowed transitions and intensities of C2H2D2 and C2H3D were obtained. It can be concluded that the products comprised mainly of cis-C2H2D2 There was also some C2H3D.1 H chemical shift in C2H3D moved by ca. 4.0Hz to the upfield compared with that in C2H4. The upfield shift in C2H2D2 was about twice as large as that in C2H3D.The theoretical results are in good agreement with experimental ones.zh_CN
dc.description.sponsorship国家攀登(29892166)预选项目;; 国家自然科学基金(19605004)项目;; 固体表面物理化学国家重点实验室基金项目zh_CN
dc.language.isozhzh_CN
dc.publisher《化学学报》编辑部zh_CN
dc.subject氘代乙烯zh_CN
dc.subject1H NMRzh_CN
dc.subject高自旋体系zh_CN
dc.subject谱分析zh_CN
dc.title重水中固氮酶催化还原乙炔产物的~1H NMR研究zh_CN
dc.title.alternative1H NMR Study on the Products of the Catalytic Reduction of Ethyne by Nitrogenase in D_2Ozh_CN
dc.typeArticlezh_CN


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