Dilithiation of N,N′-diphenylthiourea, PhNHC(S)NHPh, in HMPA: the unexpected structure of the product, [PhNPh)SLi·2HMPA]2, and supporting ab initio MO calculations on model systems

D R ARMSTRONG, Robert Mulvey, D BARR, R SNAITH, D S WRIGHT, W CLEGG, S M HODGSON

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13 Citations (Scopus)

Abstract

Ab initio calculations on mono- and di-lithiated derivatives of thiourea predict that Li atom(s) will bridge N and S centres, leading to lengthening of the bond and shortening of one or both of the bonds in thiourea. The synthesised complex of dilithiated diphenylthiourea, [PhNPh)SLi·2HMPA]2 (1) displays many of the structural features suggested by theory, having been shown by X-ray crystallography to contain monomeric units with SLi and N(μ2Li)N bonds, these monomers then being linked by N: → Li coordinations.
Original languageEnglish
Pages (from-to)C1-C4
Number of pages4
JournalJournal of Organometallic Chemistry
Volume362
Issue number1-2
DOIs
Publication statusPublished - 28 Feb 1989

Keywords

  • dilithiation
  • crystal structures

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