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

doi:10.1016/S0022-328X(01)00658-1

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

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

22 Scopus citations

Abstract

The mono(cyclopentadienyl)calcium iodide complex [{(Cp^3T)CaI(THF)_x}_n] (Cp^3T=[C₅(t-Bu)₃H₂]^-) is generated from the 1:1 reaction of K[Cp^3T] and CaI₂ in THF. No redistribution into [(Cp^3T)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 [Cp^3T]^- 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 [Cp^3T]^- 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 language	English (US)
Pages (from-to)	43-48
Number of pages	6
Journal	Journal of Organometallic Chemistry
Volume	626
Issue number	1-2
DOIs	https://doi.org/10.1016/S0022-328X(01)00658-1
State	Published - 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

Publisher link

10.1016/S0022-328X(01)00658-1

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title = "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",

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) {\AA}.",

keywords = "Calcium, Crystal Structures, Cyclopentadienyl, Group 2, Iodide",

author = "Harvey, {Melanie J.} and Hanusa, {Timothy P.} and Young, {Victor G.}",

note = "Funding Information: Acknowledgment is made to the National Science Foundation for support. ",

year = "2001",

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doi = "10.1016/S0022-328X(01)00658-1",

language = "English (US)",

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T1 - 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

AU - Harvey, Melanie J.

AU - Hanusa, Timothy P.

AU - Young, Victor G.

N1 - Funding Information: Acknowledgment is made to the National Science Foundation for support.

PY - 2001/4/30

Y1 - 2001/4/30

N2 - 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.

AB - 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.

KW - Calcium

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KW - Iodide

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