Synthesis and crystal structure of the new heteroleptic magnesium bis(amide) [{Mg[mu-N(H)Ph][N(SiMe3)(2)]center dot THF}(2)], and density functional MO calculations on model systems

D.R. Armstrong, W. Clegg, R.E. Mulvey, R.B. Rowlings

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

Reaction of Mg[N(SiMe3)(2)](2) with one molar equivalent of the primary amine PhNH2 in THF solution gave the transaminated THF-solvated heteroleptic bis(amide) [{Mg[mu -N(H)Ph][N(SiMe3)(2)]. THF}(2)]. In the crystalline state the new amide is dimeric with a central, planar azamagnesacyclic (NMg)(2) ring. The resonance stabilised anilido units prefer to bridge to the magnesium centres whereas the bulkier secondary hexamethyldisilazanzide groups occupy terminal sites. Terminal solvation by THF completes the distorted tetrahedral environment about magnesium. Comparisons of this structure with other crystallographically characterised heteroleptic magnesium bis(amides) are made. The interesting, almost square geometry of this (NMg)(2) ring has also prompted a density functional MO study on magnesium systems and related molecules of Groups 1, 2 and 13, the results of which are also reported.
Original languageEnglish
Pages (from-to)409-413
Number of pages4
JournalJournal of the Chemical Society, Dalton Transactions
Volume2001
Issue number4
DOIs
Publication statusPublished - 2001

Keywords

  • molecular orbital methods
  • basis sets
  • lithium anilide
  • complexes
  • intermediate
  • benzonitrile
  • chemistry
  • compound

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