A three-coordinate and quadruply bonded Mo-Mo complex.

J Am Chem Soc

Department of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan, Republic of China.

Published: November 2006

AI Article Synopsis

  • The reaction of MoCl3(THF)3 with [Me2Si{NLi(Dipp)}2]2 produced a triply bonded dimolybdenum complex, 1, characterized by specific ligands resulting in a syn arrangement.
  • Compound 1 is sensitive to air and moisture and was analyzed using NMR, elemental, and X-ray crystallography methods.
  • A subsequent reduction of complex 1 created a quadruply bonded dimeric complex, 2, with a notable Mo-Mo bond length of 2.1784(12) A, analyzed through various techniques and depth studies in DFT revealing insights into the bond's nature.

Article Abstract

Reaction of MoCl3(THF)3 with [Me2Si{NLi(Dipp)}2]2 (Dipp = 2,6-i-PrC6H3) afforded a triply bonded dimolybdenum complex 1,2-Mo2Cl2[Me2Si(NDipp)2]2 1, spanned by two Me2Si[N(Dipp)]2 ligands, thus resulting in a syn conformation. The air- and moisture-sensitive compound 1 was characterized by NMR spectroscopic, elemental, and single-crystal X-ray crystallographic analysis. Reduction of 1 by Na/Hg yielded the quadruply bonded dimeric complex Mo2[Me2Si(NDipp)2]2 2, which was also characterized by the aforementioned analytical methods. The Mo-Mo bond was determined to be 2.1784(12) A, which is considered a long quadruple bond. In addition, density functional theory (DFT) computations on compound 2 provided insight into the intriguing Mo-Mo quadruple bond.

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http://dx.doi.org/10.1021/ja0635884DOI Listing

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