Dispersion force stabilized two-coordinate transition metal-amido complexes of the -N(SiMe3)Dipp (Dipp = C6H3-2,6-Pr i2) ligand: Structural, spectroscopic, magnetic, and computational studies

Chun Yi Lin, Jing Dong Guo, James C. Fettinger, Shigeru Nagase, Fernande Grandjean, Gary J. Long, Nicholas F. Chilton, Philip P. Power

研究成果: Article

58 引文 斯高帕斯(Scopus)

摘要

A series of high spin, two-coordinate first row transition metal-amido complexes, M{N(SiMe3)Dipp}2 {M = Fe (1), Co (2), or Ni (3); Dipp = C6H3-2,6-Pri2} and a tetranuclear C-H activated chromium amide, [Cr{N(SiMe2CH 2)Dipp}2Cr]2(THF) (4), were synthesized by reaction of their respective metal dihalides with 2 equiv of the lithium amide salt. They were characterized by X-ray crystallography, electronic and infrared spectroscopy, SQUID magnetic measurements, and computational methods. Contrary to steric considerations, the structures of 1-3 display planar eclipsed M{NSiC(ipso)}2 arrays and short M-N distances. DFT calculations, corrected for dispersion effects, show that dispersion interactions involving C-H-H-C moieties likely stabilize the structures by 21.1-29.4 kcal mol -1, depending on the level of the calculations employed. SQUID measurements confirm high spin electron configurations for all the complexes and substantial orbital contributions for 1 and 2.

原文English
頁(從 - 到)13584-13593
頁數10
期刊Inorganic Chemistry
52
發行號23
DOIs
出版狀態Published - 2013 十二月 2

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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