Gourlay Craig, Nielsen David J, White Jonathan M, Knottenbelt Sushilla Z, Kirk Martin L, Young Charles G
School of Chemistry, University of Melbourne, Victoria 3010, Australia.
J Am Chem Soc. 2006 Feb 22;128(7):2164-5. doi: 10.1021/ja056500f.
New paramagnetic, heterobimetallic Mo/Cu complexes featuring the Mo(=O)(mu-S)Cu core of O. carboxidovorans carbon monoxide dehydrogenase have been synthesized and structurally and spectroscopically characterized. The complexes exhibit EPR spectra (left graphic) indicative of extensive electron delocalization across the Mo-S-Cu core, in agreement with computational studies identifying the singly-occupied molecular orbital (right graphic).
具有食羧菌一氧化碳脱氢酶的Mo(=O)(μ-S)Cu核心的新型顺磁性异双金属Mo/Cu配合物已被合成，并通过结构和光谱进行了表征。这些配合物的电子顺磁共振谱（左图）表明电子在Mo-S-Cu核心上广泛离域，这与确定单占据分子轨道的计算研究结果一致（右图）。
