Acta Chimica Sinica ›› 1999, Vol. 57 ›› Issue (8): 907-913. Previous Articles     Next Articles

Original Articles

重水中固氮酶催化还原乙炔产物的^1H NMR研究

陈忠;林国兴;蔡淑惠;徐昕;黄静伟;万惠霖;蔡启瑞   

  1. 厦门大学化学系.厦门(361005);厦门大学物理学系.厦门(361005);厦门大学固 体表面物理化学国家重点实验室.厦门(361005)
  • 出版日期:1999-08-15 发布日期:1999-08-15

^1H NMR study on the products of the catalytic reduction of ethyne by nitrogenase in D~2O

Chen Zhong;Lin Guoxing;Cai Shuhui;Xu Xin;Huang Jingwei;Wan Huilin;Cai Qirui   

  1. Xiamen Univ, Dept Chem.Xiamen(361005);Xiamen Univ, Dept Phys.Xiamen (361005);State Key Lab Phys Chem Solid Surface, Xiamen Univ, Dept Chem. Xiamen(361005)
  • Online:1999-08-15 Published:1999-08-15

The products of the catalytic reduction ethyne by nitrogenase in D~2O were studied by ^1H NMR. In order to assign the ^1H NMR spectrum, the theoretical spectra of C~2H~2D~2 were calculated using group symmetry. The final eigenfunctions,eigenvalues,allowed transitions and intensities of C~2H~2D~2 and C~2H~2D were obtained.It can be concluded that the products comprised mainly of cis-C~2H~2D~2.There was also some C~2H~3D. ^1H chemical shift in C~2H~3D moved by ca.4. 0Hz to the upfield compared with that in C~2H~4. The upfield shift in C~2H~2D~2 was about twice as large as that in C~2H~3D. The theorical results are in good agreement with experimental ones.

Key words: ACETYLENE, CATALYTIC REACTION, NITROGENASE, HEAVY WATER, CHEMICAL SHIFT, PROTON MAGNETIC RESONANCE SPECTROMETRY

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