NDLI: Dinuclear Ir(III) Complex with an Unusual η$^{1}$:η$^{3}$-allylic Bridging Ligand from the Double C

Content Provider	Springer Nature Link
Author	Grochowski, Matthew R. Brennessel, William W. Jones, William D.
Copyright Year	2011
Abstract	The unique dinuclear Ir(III) complex (CpIrCl)(μ-H)[μ-(η$^{1}$:η$^{3}$-C$_{6}$H$_{6}$S)](IrCp) (1) has been synthesized and characterized by NMR spectroscopy ($^{1}$H and $^{13}$C), elemental analysis, and single crystal X-ray diffraction. It is the first structurally determined complex in which an activated thiophene ligand displays an η$^{3}$-allylic interaction. 1 appears to form from successive C-H bond activations of 2,5-dimethylthiophene, resulting in its bridging the two iridium centers. The η$^{3}$-allylic interaction occurs with one of the Ir centers and has Ir–C$_{thio}$ bond lengths ranging from 2.133(5)-2.207(5) Å; the C–C double bond involved in the interaction has a bond length of 1.438(7) Å compared to 1.348(8) Å for the uncoordinated C–C double bond. The 3-carbon of the thiophene ring bridges both iridium centers with bond lengths of 2.036(5) Å and 2.208(5) Å. 1 crystallizes in space group P−1 with cell constants a = 8.6303(6) Å, b = 9.0153(6) Å, c = 18.1089(12) Å, α = 84.728(1)°, β = 87.534(1)°, γ = 64.373(1)°, and Z = 2. The structure was solved by direct methods and refined to R = 0.0363 (F $^{2}$ > 2σ(F $^{2}$)) and wR = 0.0851 (F $^{2}$). The NMR data indicate the solution state structure is consistent with the solid state structure.The reaction of 2,5-dimethylthiophene with [Cp*IrHCl]$_{2}$ leads to the formation of a unique double C–H activation product displaying a unique μ-η$^{1}$:η$^{3}$ coordination of the thiophene
Starting Page	829
Ending Page	833
Page Count	5
File Format	PDF
ISSN	10741542
Journal	Journal of Chemical Crystallography
Volume Number	41
Issue Number	6
e-ISSN	15728854
Language	English
Publisher	Springer US
Publisher Date	2011-02-12
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	C–H activation η$^{1}$:η$^{3}$-allyl Thiophene Inorganic Chemistry Crystallography Organometallic Chemistry Physical Chemistry
Content Type	Text
Resource Type	Article
Subject	Chemistry Condensed Matter Physics

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