Synthesis, Structural Characterization, and Spectroscopy of the Cadmium-Cadmium Bonded Molecular Species Ar'CdCdAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2).

Zhongliang Zhu; Roland C. Fischer; James C. Fettinger; Eric Rivard; Marcin Brynda; Philip P. Power

doi:10.1021/ja066108h

Synthesis, Structural Characterization, and Spectroscopy of the Cadmium-Cadmium Bonded Molecular Species Ar'CdCdAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2).

Zhongliang Zhu, Roland C. Fischer, James C. Fettinger, Eric Rivard, Marcin Brynda, Philip P. Power

Institute of Inorganic Chemistry (6330)

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

Abstract

The synthesis and 1st structural characterization of a Cd-Cd bonded mol. compd., Ar'CdCdAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2), are reported. Thus, treating Ar'Li with CdI2 in Et2O for 2 days gave 67.2% Ar'CdI, which upon treatment with NaH in THF for 3 days gave 27.6% Ar'CdCdAr'. The existence of the Cd-Cd bond was established by 113Cd NMR spectroscopy and x-ray diffraction (Cd-Cd = 2.6257(5) Å). Like its Group 12 analog Ar'ZnZnAr', DFT calcns. on a model compd. showed that Ar'CdCdAr' had significant p-character in the Cd-Cd σ-bonding HOMO. [on SciFinder(R)]

Original language	English
Pages (from-to)	15068-15069
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	128
Issue number	47
DOIs	https://doi.org/10.1021/ja066108h
Publication status	Published - 2006

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10.1021/ja066108h

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Synthesis, Structural Characterization, and Spectroscopy of the Cadmium-Cadmium Bonded Molecular Species Ar'CdCdAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2). / Zhu, Zhongliang; Fischer, Roland C.; Fettinger, James C. et al.
In: Journal of the American Chemical Society, Vol. 128, No. 47, 2006, p. 15068-15069.

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

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title = "Synthesis, Structural Characterization, and Spectroscopy of the Cadmium-Cadmium Bonded Molecular Species Ar'CdCdAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2).",

abstract = "The synthesis and 1st structural characterization of a Cd-Cd bonded mol. compd., Ar'CdCdAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2), are reported. Thus, treating Ar'Li with CdI2 in Et2O for 2 days gave 67.2% Ar'CdI, which upon treatment with NaH in THF for 3 days gave 27.6% Ar'CdCdAr'. The existence of the Cd-Cd bond was established by 113Cd NMR spectroscopy and x-ray diffraction (Cd-Cd = 2.6257(5) {\AA}). Like its Group 12 analog Ar'ZnZnAr', DFT calcns. on a model compd. showed that Ar'CdCdAr' had significant p-character in the Cd-Cd σ-bonding HOMO. [on SciFinder(R)]",

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T1 - Synthesis, Structural Characterization, and Spectroscopy of the Cadmium-Cadmium Bonded Molecular Species Ar'CdCdAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2).

AU - Zhu, Zhongliang

AU - Fischer, Roland C.

AU - Fettinger, James C.

AU - Rivard, Eric

AU - Brynda, Marcin

AU - Power, Philip P.

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N2 - The synthesis and 1st structural characterization of a Cd-Cd bonded mol. compd., Ar'CdCdAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2), are reported. Thus, treating Ar'Li with CdI2 in Et2O for 2 days gave 67.2% Ar'CdI, which upon treatment with NaH in THF for 3 days gave 27.6% Ar'CdCdAr'. The existence of the Cd-Cd bond was established by 113Cd NMR spectroscopy and x-ray diffraction (Cd-Cd = 2.6257(5) Å). Like its Group 12 analog Ar'ZnZnAr', DFT calcns. on a model compd. showed that Ar'CdCdAr' had significant p-character in the Cd-Cd σ-bonding HOMO. [on SciFinder(R)]

AB - The synthesis and 1st structural characterization of a Cd-Cd bonded mol. compd., Ar'CdCdAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2), are reported. Thus, treating Ar'Li with CdI2 in Et2O for 2 days gave 67.2% Ar'CdI, which upon treatment with NaH in THF for 3 days gave 27.6% Ar'CdCdAr'. The existence of the Cd-Cd bond was established by 113Cd NMR spectroscopy and x-ray diffraction (Cd-Cd = 2.6257(5) Å). Like its Group 12 analog Ar'ZnZnAr', DFT calcns. on a model compd. showed that Ar'CdCdAr' had significant p-character in the Cd-Cd σ-bonding HOMO. [on SciFinder(R)]

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KW - dinuclear cadmium terphenyl DFT optimized mol structure HOMO

KW - crystal structure dinuclear cadmium bulky terphenyl ligand prepn

KW - mol structure dinuclear cadmium bulky terphenyl ligand

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