The effect of axial ligand on the oxidation of syringyl alcohol by Co(salen) adducts.
The effect of axial ligand on the oxidation of syringyl alcohol by Co(salen) adducts.
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DOI：
10.1039/c3cp44404j
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发表时间：
2013-04
期刊：
影响因子：
--
通讯作者：
T. Elder;J. Bozell;Diana Cedeno
中科院分区：
文献类型：
--
作者：
T. Elder;J. Bozell;Diana Cedeno
Experimental work on the oxidation of the lignin model, syringyl alcohol, using oxygen and a Co(salen) catalyst has revealed variations in yield with different imidazole-based axial ligands. A reasonable linear relationship was found between product yield and pKa of the axial ligand. The current work, using density functional calculations, examined geometric, electronic, and energetic parameters to determine if additional quantitative relationships can be identified and used in subsequent catalyst design. Good relationships with yield were identified with the geometry of the salen ligand and the charge on the ligand nitrogen coordinated to the cobalt.
