A solid-state 1NMR and theoretical study of the chemical bonding in disilenes

Robert West; Jefferson D. Cavalieri; Jarrod J. Buffy; Charles Fry; Kurt W. Zilm; James C. Duchamp; Mitsuo Kira; Takeaki Iwamoto; Thomas Müller; Yitzhak Apeloig

doi:10.1021/ja963921b

A solid-state ¹NMR and theoretical study of the chemical bonding in disilenes

Robert West, Jefferson D. Cavalieri, Jarrod J. Buffy, Charles Fry, Kurt W. Zilm, James C. Duchamp, Mitsuo Kira, Takeaki Iwamoto, Thomas Müller, Yitzhak Apeloig

SCI - Chemistry

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

52 Citations (Scopus)

Abstract

Nine disilenes have been studied by solid-state NMR spectroscopy. under static or slow magic-angle spinning conditions. to determine the ²⁹Si chemical shift tensors. All of the compounds show strong deshielding along one axis and correspondingly large spreads of the tensor components, Δδ (=δ₁₁ - δ₃₃). MO calculations on model disilenes indicate that the deshielding results from a paramagnetic contribution along the in-plane axis perpendicular to the Si-Si vector. Implications of the NMR data and the theoretical camputations for Si=Si bonding are discussed.

Original language	English
Pages (from-to)	4972-4976
Number of pages	5
Journal	Journal of the American Chemical Society
Volume	119
Issue number	21
DOIs	https://doi.org/10.1021/ja963921b
Publication status	Published - 1997 May 28

ASJC Scopus subject areas

Catalysis
Chemistry(all)
Biochemistry
Colloid and Surface Chemistry

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10.1021/ja963921b

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A solid-state ¹NMR and theoretical study of the chemical bonding in disilenes. / West, Robert; Cavalieri, Jefferson D.; Buffy, Jarrod J.; Fry, Charles; Zilm, Kurt W.; Duchamp, James C.; Kira, Mitsuo; Iwamoto, Takeaki; Müller, Thomas; Apeloig, Yitzhak.

In: Journal of the American Chemical Society, Vol. 119, No. 21, 28.05.1997, p. 4972-4976.

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

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abstract = "Nine disilenes have been studied by solid-state NMR spectroscopy. under static or slow magic-angle spinning conditions. to determine the 29Si chemical shift tensors. All of the compounds show strong deshielding along one axis and correspondingly large spreads of the tensor components, Δδ (=δ11 - δ33). MO calculations on model disilenes indicate that the deshielding results from a paramagnetic contribution along the in-plane axis perpendicular to the Si-Si vector. Implications of the NMR data and the theoretical camputations for Si=Si bonding are discussed.",

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AU - Duchamp, James C.

AU - Kira, Mitsuo

AU - Iwamoto, Takeaki

AU - Müller, Thomas

AU - Apeloig, Yitzhak

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AB - Nine disilenes have been studied by solid-state NMR spectroscopy. under static or slow magic-angle spinning conditions. to determine the 29Si chemical shift tensors. All of the compounds show strong deshielding along one axis and correspondingly large spreads of the tensor components, Δδ (=δ11 - δ33). MO calculations on model disilenes indicate that the deshielding results from a paramagnetic contribution along the in-plane axis perpendicular to the Si-Si vector. Implications of the NMR data and the theoretical camputations for Si=Si bonding are discussed.

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A solid-state ¹NMR and theoretical study of the chemical bonding in disilenes

Abstract

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