Coordination complexes of TiX4 (X = F, Cl) with a bulky N-heterocyclic carbene: Syntheses, characterization and molecular structures

Adinarayana Doddi; Christian Gemel; Rüdiger W. Seidel; Manuel Winter; Roland A. Fischer

doi:10.1016/j.poly.2012.06.067

Coordination complexes of TiX₄ (X = F, Cl) with a bulky N-heterocyclic carbene: Syntheses, characterization and molecular structures

Adinarayana Doddi
, Christian Gemel
, Rüdiger W. Seidel
, Manuel Winter
, Roland A. Fischer

Max-Planck-lnstitut für Kohlenforschung

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

26 Scopus citations

Abstract

Reactions of the sterically encumbered N-heterocyclic carbene IPr (IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene, [:C{[N(2,6-iPr ₂C₆H₃)]CH}₂]) (1) with TiX ₄ (X = Cl, F) in diethyl ether or THF afford the metal halide mono- and bis-carbene complexes, [Cl₄Ti-C{N(2,6-ⁱPr ₂C₆H₃)CH}₂] (2), [Cl ₄Ti{C{N(2,6-ⁱPr₂C₆H ₃)CH}₂}₂] (3) and [F₄Ti{C{N(2,6- ⁱPr₂C₆H₃)CH}₂} ₂] (4). Compounds 2-4 have been completely characterized by elemental analysis, NMR spectroscopic methods (¹H, ¹³C and ¹⁹F NMR) and single crystal X-ray structure determination. Furthermore, the reaction of [Cl₄Ti-C{N(2,6-ⁱPr ₂C₆H₃)CH}₂] (2) with ZnMe ₂ yields monomeric [ZnCl₂·IPr] (5), involving the transfer of carbene and chlorido ligands from Ti (IV) to Zn(II).

Original language	English
Pages (from-to)	1103-1108
Number of pages	6
Journal	Polyhedron
Volume	52
DOIs	https://doi.org/10.1016/j.poly.2012.06.067
State	Published - 22 Mar 2013
Externally published	Yes

Keywords

N-heterocyclic carbene
Titanium
X-ray crystallography
Zinc

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10.1016/j.poly.2012.06.067

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@article{fcb2a088a54e4985b7b80e7a5ed329d2,

title = "Coordination complexes of TiX4 (X = F, Cl) with a bulky N-heterocyclic carbene: Syntheses, characterization and molecular structures",

abstract = "Reactions of the sterically encumbered N-heterocyclic carbene IPr (IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene, [:C\{[N(2,6-iPr 2C6H3)]CH\}2]) (1) with TiX 4 (X = Cl, F) in diethyl ether or THF afford the metal halide mono- and bis-carbene complexes, [Cl4Ti-C\{N(2,6-iPr 2C6H3)CH\}2] (2), [Cl 4Ti\{C\{N(2,6-iPr2C6H 3)CH\}2\}2] (3) and [F4Ti\{C\{N(2,6- iPr2C6H3)CH\}2\} 2] (4). Compounds 2-4 have been completely characterized by elemental analysis, NMR spectroscopic methods (1H, 13C and 19F NMR) and single crystal X-ray structure determination. Furthermore, the reaction of [Cl4Ti-C\{N(2,6-iPr 2C6H3)CH\}2] (2) with ZnMe 2 yields monomeric [ZnCl2·IPr] (5), involving the transfer of carbene and chlorido ligands from Ti (IV) to Zn(II).",

keywords = "N-heterocyclic carbene, Titanium, X-ray crystallography, Zinc",

author = "Adinarayana Doddi and Christian Gemel and Seidel, \{R{\"u}diger W.\} and Manuel Winter and Fischer, \{Roland A.\}",

note = "Funding Information: Financial support by the Deutsche Forschungsgemeinschaft (DFG) is gratefully acknowledged. ",

year = "2013",

month = mar,

day = "22",

doi = "10.1016/j.poly.2012.06.067",

language = "English",

volume = "52",

pages = "1103--1108",

journal = "Polyhedron",

issn = "0277-5387",

publisher = "Elsevier Ltd.",

}

TY - JOUR

T1 - Coordination complexes of TiX4 (X = F, Cl) with a bulky N-heterocyclic carbene

T2 - Syntheses, characterization and molecular structures

AU - Doddi, Adinarayana

AU - Gemel, Christian

AU - Seidel, Rüdiger W.

AU - Winter, Manuel

AU - Fischer, Roland A.

N1 - Funding Information: Financial support by the Deutsche Forschungsgemeinschaft (DFG) is gratefully acknowledged.

PY - 2013/3/22

Y1 - 2013/3/22

N2 - Reactions of the sterically encumbered N-heterocyclic carbene IPr (IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene, [:C{[N(2,6-iPr 2C6H3)]CH}2]) (1) with TiX 4 (X = Cl, F) in diethyl ether or THF afford the metal halide mono- and bis-carbene complexes, [Cl4Ti-C{N(2,6-iPr 2C6H3)CH}2] (2), [Cl 4Ti{C{N(2,6-iPr2C6H 3)CH}2}2] (3) and [F4Ti{C{N(2,6- iPr2C6H3)CH}2} 2] (4). Compounds 2-4 have been completely characterized by elemental analysis, NMR spectroscopic methods (1H, 13C and 19F NMR) and single crystal X-ray structure determination. Furthermore, the reaction of [Cl4Ti-C{N(2,6-iPr 2C6H3)CH}2] (2) with ZnMe 2 yields monomeric [ZnCl2·IPr] (5), involving the transfer of carbene and chlorido ligands from Ti (IV) to Zn(II).

AB - Reactions of the sterically encumbered N-heterocyclic carbene IPr (IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene, [:C{[N(2,6-iPr 2C6H3)]CH}2]) (1) with TiX 4 (X = Cl, F) in diethyl ether or THF afford the metal halide mono- and bis-carbene complexes, [Cl4Ti-C{N(2,6-iPr 2C6H3)CH}2] (2), [Cl 4Ti{C{N(2,6-iPr2C6H 3)CH}2}2] (3) and [F4Ti{C{N(2,6- iPr2C6H3)CH}2} 2] (4). Compounds 2-4 have been completely characterized by elemental analysis, NMR spectroscopic methods (1H, 13C and 19F NMR) and single crystal X-ray structure determination. Furthermore, the reaction of [Cl4Ti-C{N(2,6-iPr 2C6H3)CH}2] (2) with ZnMe 2 yields monomeric [ZnCl2·IPr] (5), involving the transfer of carbene and chlorido ligands from Ti (IV) to Zn(II).

KW - N-heterocyclic carbene

KW - Titanium

KW - X-ray crystallography

KW - Zinc

UR - https://www.scopus.com/pages/publications/84875458291

U2 - 10.1016/j.poly.2012.06.067

DO - 10.1016/j.poly.2012.06.067

M3 - Article

AN - SCOPUS:84875458291

SN - 0277-5387

VL - 52

SP - 1103

EP - 1108

JO - Polyhedron

JF - Polyhedron

ER -

Coordination complexes of TiX₄ (X = F, Cl) with a bulky N-heterocyclic carbene: Syntheses, characterization and molecular structures

Abstract

Keywords

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