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Ambidentate Ligand Reactivity with the Rhenium(I) Compounds [BrRe(CO)4]2 and cis-BrRe(CO)4L: A Kinetic and Mechanistic Study
European Journal of Inorganic Chemistry ( IF 2.2 ) Pub Date : 2017-09-11 02:25:50 , DOI: 10.1002/ejic.201700538
Darrell D. Mayberry 1 , Vladimir N. Nesterov 1 , Michael G. Richmond 1
Affiliation  

The reaction of 2-(diphenylphosphanyl)pyridine with the dimer [BrRe(CO)4]2 has been modeled by DFT calculations. The pyridyl-coordinated isomer cis-BrRe(CO)4N-PN) is formed as the kinetic product of substitution, which in turn undergoes a rapid isomerization to furnish the thermodynamically more stable κP-isomer through a dissociative ligand process.

中文翻译:

与hen(I)化合物[BrRe(CO)4] 2和顺式BrRe(CO)4L的精确配体反应性:动力学和机理研究

2-(二苯基膦烷基)吡啶与二聚体[BrRe(CO)4 ] 2的反应已通过DFT计算进行了建模。所述吡啶基异构体配位-BrRe(CO)4(κ Ñ -PN)被形成为取代的动力学产物,而这又经历了一个快速的异构化,得到的热力学更稳定的κ P通过离解性配体-异构体的过程。
更新日期:2017-09-11
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