Palladium-catalyzed hydrogenation: Detection of palladium hydrides. A joint study using para-hydrogen-enhanced NMR spectroscopy and density functional theory

Joaquín López-Serrano; Simon B. Duckett; Agustí Lledós

doi:10.1021/ja0630137

Palladium-catalyzed hydrogenation: Detection of palladium hydrides. A joint study using para-hydrogen-enhanced NMR spectroscopy and density functional theory

Joaquín López-Serrano, Simon B. Duckett, Agustí Lledós

Department of Chemistry

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

30 Citations (Scopus)

Abstract

Pd(PEt3)2(OTf)2, acting as an in situ source of Pd(PEt3)2, reacts with an alkyne and hydrogen via phosphine loss to form the detectable hydride-containing species Pd(PEt3)2(H)(CHPhCH2Ph), cis- and trans-Pd(PEt3)2(H)(CPh=CHPh), and Pd2(PEt3)3(H)(CHPhCH2Ph)2+, which map onto the reaction scheme predicted by density functional theory. Copyright © 2006 American Chemical Society.

Original language	English
Pages (from-to)	9596-9597
Journal	Journal of the American Chemical Society
Volume	128
Issue number	30
DOIs	https://doi.org/10.1021/ja0630137
Publication status	Published - 2 Aug 2006

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@article{9db1011b7020443db5905a11bdac86a7,

title = "Palladium-catalyzed hydrogenation: Detection of palladium hydrides. A joint study using para-hydrogen-enhanced NMR spectroscopy and density functional theory",

abstract = "Pd(PEt3)2(OTf)2, acting as an in situ source of Pd(PEt3)2, reacts with an alkyne and hydrogen via phosphine loss to form the detectable hydride-containing species Pd(PEt3)2(H)(CHPhCH2Ph), cis- and trans-Pd(PEt3)2(H)(CPh=CHPh), and Pd2(PEt3)3(H)(CHPhCH2Ph)2+, which map onto the reaction scheme predicted by density functional theory. Copyright {\textcopyright} 2006 American Chemical Society.",

author = "Joaqu{\'i}n L{\'o}pez-Serrano and Duckett, {Simon B.} and Agust{\'i} Lled{\'o}s",

year = "2006",

month = aug,

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doi = "10.1021/ja0630137",

language = "English",

volume = "128",

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journal = "Journal of the American Chemical Society",

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Palladium-catalyzed hydrogenation: Detection of palladium hydrides. A joint study using para-hydrogen-enhanced NMR spectroscopy and density functional theory. / López-Serrano, Joaquín; Duckett, Simon B.; Lledós, Agustí.

In: Journal of the American Chemical Society, Vol. 128, No. 30, 02.08.2006, p. 9596-9597.

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

TY - JOUR

T1 - Palladium-catalyzed hydrogenation: Detection of palladium hydrides. A joint study using para-hydrogen-enhanced NMR spectroscopy and density functional theory

AU - López-Serrano, Joaquín

AU - Duckett, Simon B.

AU - Lledós, Agustí

PY - 2006/8/2

Y1 - 2006/8/2

N2 - Pd(PEt3)2(OTf)2, acting as an in situ source of Pd(PEt3)2, reacts with an alkyne and hydrogen via phosphine loss to form the detectable hydride-containing species Pd(PEt3)2(H)(CHPhCH2Ph), cis- and trans-Pd(PEt3)2(H)(CPh=CHPh), and Pd2(PEt3)3(H)(CHPhCH2Ph)2+, which map onto the reaction scheme predicted by density functional theory. Copyright © 2006 American Chemical Society.

AB - Pd(PEt3)2(OTf)2, acting as an in situ source of Pd(PEt3)2, reacts with an alkyne and hydrogen via phosphine loss to form the detectable hydride-containing species Pd(PEt3)2(H)(CHPhCH2Ph), cis- and trans-Pd(PEt3)2(H)(CPh=CHPh), and Pd2(PEt3)3(H)(CHPhCH2Ph)2+, which map onto the reaction scheme predicted by density functional theory. Copyright © 2006 American Chemical Society.

U2 - 10.1021/ja0630137

DO - 10.1021/ja0630137

M3 - Article

VL - 128

SP - 9596

EP - 9597

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

SN - 0002-7863

IS - 30

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