Formation and crystal structures of a monomer-dimer pair of mono(cyclopentadienyl)calcium complexes, [C5(t-Bu)3H2]2CaI(THF)2 and {[C5(t-Bu)3H2]2CaI(THF)}2

Melanie J. Harvey, Timothy P. Hanusa, Victor G. Young

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21 Scopus citations

Abstract

The mono(cyclopentadienyl)calcium iodide complex [{(Cp3T)CaI(THF)x}n] (Cp3T=[C5(t-Bu)3H2]-) is generated from the 1:1 reaction of K[Cp3T] and CaI2 in THF. No redistribution into [(Cp3T)2Ca] and CaI2(THF)n is observed in THF solution. The mono(ring) compound crystallizes from THF as a monomer with a distorted piano stool geometry; the coordination environment around the calcium consists of a pentahapto [Cp3T]- ligand, an iodide, and two THF molecules. It is the first structurally authenticated monomeric mono(ring) halide complex of a heavy alkaline-earth metal. From a toluene-THF mixture, the mono(ring) complex crystallizes as an iodide-bridged dimer, with a pentahapto [Cp3T]- ligand and one terminal THF on each metal atom. The Ca-I and Ca-I′ distances are nearly equal at 3.087(2) and 3.101(2) Å.

Original languageEnglish (US)
Pages (from-to)43-48
Number of pages6
JournalJournal of Organometallic Chemistry
Volume626
Issue number1-2
DOIs
StatePublished - Apr 30 2001

Bibliographical note

Funding Information:
Acknowledgment is made to the National Science Foundation for support.

Keywords

  • Calcium
  • Crystal Structures
  • Cyclopentadienyl
  • Group 2
  • Iodide

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