Zirconium alkyls with ancillary cyclooctatetraenyl ligands. X-ray crystal structures of [Li(tmed)][(C8H8)Zr(p-C6H4Me)Cl2] and (C8H8)Zr[CH(SiMe3)2]2

Melissa J. Nelsen; Gregory S. Girolami

doi:10.1016/j.poly.2020.114581

Zirconium alkyls with ancillary cyclooctatetraenyl ligands. X-ray crystal structures of [Li(tmed)][(C₈H₈)Zr(p-C₆H₄Me)Cl₂] and (C₈H₈)Zr[CH(SiMe₃)₂]₂

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Abstract

Several new group 4 alkyl and aryl compounds have been synthesized that possess ancillary cyclooctatetraene ligands. Most of the complexes isolated are anionic and have stoichiometries of [Li(tmed)₂][(C₈H₈)MRCl₂], [Li(tmed)_x][(C₈H₈)MR₂Cl], or [Li(tmed)_x][(C₈H₈)MR₃], where M = Zr or Hf, and R = Me, Ph, p-Tol, or CH(SiMe₃)₂. Two neutral 14-electron compounds have also been prepared, (C₈H₈)M[CH(SiMe₃)₂]₂, where R = Zr or Hf. The compound (C₈H₈)Zr[CH(SiMe₃)₂]₂ appears to react reversibly with 7 atm of carbon monoxide but does not react with dihydrogen even at 70 atm. IR, ¹H and ¹³C NMR data are reported, along with the crystal structures of two of the new compounds.

Original language	English (US)
Article number	114581
Journal	Polyhedron
Volume	187
DOIs	https://doi.org/10.1016/j.poly.2020.114581
State	Published - Sep 1 2020

Keywords

Alkyls
Aryls
Cyclooctatetraene
Hafnium
Zirconium

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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@article{54fa1e9381a94e2da26728ee9aaa3723,

title = "Zirconium alkyls with ancillary cyclooctatetraenyl ligands. X-ray crystal structures of [Li(tmed)][(C8H8)Zr(p-C6H4Me)Cl2] and (C8H8)Zr[CH(SiMe3)2]2",

abstract = "Several new group 4 alkyl and aryl compounds have been synthesized that possess ancillary cyclooctatetraene ligands. Most of the complexes isolated are anionic and have stoichiometries of [Li(tmed)2][(C8H8)MRCl2], [Li(tmed)x][(C8H8)MR2Cl], or [Li(tmed)x][(C8H8)MR3], where M = Zr or Hf, and R = Me, Ph, p-Tol, or CH(SiMe3)2. Two neutral 14-electron compounds have also been prepared, (C8H8)M[CH(SiMe3)2]2, where R = Zr or Hf. The compound (C8H8)Zr[CH(SiMe3)2]2 appears to react reversibly with 7 atm of carbon monoxide but does not react with dihydrogen even at 70 atm. IR, 1H and 13C NMR data are reported, along with the crystal structures of two of the new compounds.",

keywords = "Alkyls, Aryls, Cyclooctatetraene, Hafnium, Zirconium",

author = "Nelsen, {Melissa J.} and Girolami, {Gregory S.}",

note = "Funding Information: We thank Dr. Scott Wilson and Ms. Teresa Prussak-Wieckowska for collecting the X-ray crystallographic data, and the National Science Foundation for support of this work, most recently through grant CHE 16-65191 . Publisher Copyright: {\textcopyright} 2020",

year = "2020",

month = sep,

day = "1",

doi = "10.1016/j.poly.2020.114581",

language = "English (US)",

volume = "187",

journal = "Polyhedron",

issn = "0277-5387",

publisher = "Elsevier Limited",

}

TY - JOUR

T1 - Zirconium alkyls with ancillary cyclooctatetraenyl ligands. X-ray crystal structures of [Li(tmed)][(C8H8)Zr(p-C6H4Me)Cl2] and (C8H8)Zr[CH(SiMe3)2]2

AU - Nelsen, Melissa J.

AU - Girolami, Gregory S.

N1 - Funding Information: We thank Dr. Scott Wilson and Ms. Teresa Prussak-Wieckowska for collecting the X-ray crystallographic data, and the National Science Foundation for support of this work, most recently through grant CHE 16-65191 . Publisher Copyright: © 2020

PY - 2020/9/1

Y1 - 2020/9/1

N2 - Several new group 4 alkyl and aryl compounds have been synthesized that possess ancillary cyclooctatetraene ligands. Most of the complexes isolated are anionic and have stoichiometries of [Li(tmed)2][(C8H8)MRCl2], [Li(tmed)x][(C8H8)MR2Cl], or [Li(tmed)x][(C8H8)MR3], where M = Zr or Hf, and R = Me, Ph, p-Tol, or CH(SiMe3)2. Two neutral 14-electron compounds have also been prepared, (C8H8)M[CH(SiMe3)2]2, where R = Zr or Hf. The compound (C8H8)Zr[CH(SiMe3)2]2 appears to react reversibly with 7 atm of carbon monoxide but does not react with dihydrogen even at 70 atm. IR, 1H and 13C NMR data are reported, along with the crystal structures of two of the new compounds.

AB - Several new group 4 alkyl and aryl compounds have been synthesized that possess ancillary cyclooctatetraene ligands. Most of the complexes isolated are anionic and have stoichiometries of [Li(tmed)2][(C8H8)MRCl2], [Li(tmed)x][(C8H8)MR2Cl], or [Li(tmed)x][(C8H8)MR3], where M = Zr or Hf, and R = Me, Ph, p-Tol, or CH(SiMe3)2. Two neutral 14-electron compounds have also been prepared, (C8H8)M[CH(SiMe3)2]2, where R = Zr or Hf. The compound (C8H8)Zr[CH(SiMe3)2]2 appears to react reversibly with 7 atm of carbon monoxide but does not react with dihydrogen even at 70 atm. IR, 1H and 13C NMR data are reported, along with the crystal structures of two of the new compounds.

KW - Alkyls

KW - Aryls

KW - Cyclooctatetraene

KW - Hafnium

KW - Zirconium

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U2 - 10.1016/j.poly.2020.114581

DO - 10.1016/j.poly.2020.114581

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JO - Polyhedron

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