Computational evaluation of tris(carbene)borate donor properties in {NiNO}(10) complexes.

نویسندگان

  • Ruth A Juarez
  • Wei-Tsung Lee
  • Jeremy M Smith
  • Haobin Wang
چکیده

Electronic structure calculations are performed to characterise the structures, energies, and spectroscopic data for a series of four-coordinate tris(carbene)borate {NiNO}(10) complexes. There is excellent agreement between the computational and experimental results for known complexes, allowing for structure-function relationships to be delineated. Calculations that provide insights into the synthetic accessibility of nickel(iv) nitrides by oxygen atom abstraction from these complexes are also reported.

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عنوان ژورنال:
  • Dalton transactions

دوره 43 39  شماره 

صفحات  -

تاریخ انتشار 2014