(1,2-Bis(diphenylphosphino)ethane)(η3-1-arylallyl)palladium Tetrafluoroborates. Distribution of the Positive Charge Density by Correlation of NMR Chemical Shifts with Hammett Substituent Constants

Ramón Malet; Marcial Moreno-Mañas; Teodor Parella; Roser Pleixats

doi:10.1021/om00005a050

(1,2-Bis(diphenylphosphino)ethane)(η³-1-arylallyl)palladium Tetrafluoroborates. Distribution of the Positive Charge Density by Correlation of NMR Chemical Shifts with Hammett Substituent Constants

Ramón Malet, Marcial Moreno-Mañas, Teodor Parella, Roser Pleixats

Department of Chemistry

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

29 Citations (Scopus)

Abstract

13C NMR differences of chemical shifts (δx — δH) of allyl carbon atoms in a series of (1,2-bis(diphenylphosphino)ethane)(η3-1-(4-X-phenyl)allyl)palladium tetrafluoroborates, X ranging from NO2 to OMe, correlate very well (r > 0.994) with σ Hammett constants. However, 31P NMR differences of the ligand cis and trans phosphorus atoms correlate well with σ and with σ+, respectively. These data indicate that the positive charge density of the cation is localized mainly in the P—Pd—P region. © 1995, American Chemical Society. All rights reserved.

Original language	English
Pages (from-to)	2463-2469
Journal	Organometallics
Volume	14
Issue number	5
DOIs	https://doi.org/10.1021/om00005a050
Publication status	Published - 1 Jan 1995

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title = "(1,2-Bis(diphenylphosphino)ethane)(η3-1-arylallyl)palladium Tetrafluoroborates. Distribution of the Positive Charge Density by Correlation of NMR Chemical Shifts with Hammett Substituent Constants",

abstract = "13C NMR differences of chemical shifts (δx — δH) of allyl carbon atoms in a series of (1,2-bis(diphenylphosphino)ethane)(η3-1-(4-X-phenyl)allyl)palladium tetrafluoroborates, X ranging from NO2 to OMe, correlate very well (r > 0.994) with σ Hammett constants. However, 31P NMR differences of the ligand cis and trans phosphorus atoms correlate well with σ and with σ+, respectively. These data indicate that the positive charge density of the cation is localized mainly in the P—Pd—P region. {\textcopyright} 1995, American Chemical Society. All rights reserved.",

author = "Ram{\'o}n Malet and Marcial Moreno-Ma{\~n}as and Teodor Parella and Roser Pleixats",

year = "1995",

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doi = "10.1021/om00005a050",

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(1,2-Bis(diphenylphosphino)ethane)(η³-1-arylallyl)palladium Tetrafluoroborates. Distribution of the Positive Charge Density by Correlation of NMR Chemical Shifts with Hammett Substituent Constants. / Malet, Ramón; Moreno-Mañas, Marcial; Parella, Teodor; Pleixats, Roser.

In: Organometallics, Vol. 14, No. 5, 01.01.1995, p. 2463-2469.

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

TY - JOUR

T1 - (1,2-Bis(diphenylphosphino)ethane)(η3-1-arylallyl)palladium Tetrafluoroborates. Distribution of the Positive Charge Density by Correlation of NMR Chemical Shifts with Hammett Substituent Constants

AU - Malet, Ramón

AU - Moreno-Mañas, Marcial

AU - Parella, Teodor

AU - Pleixats, Roser

PY - 1995/1/1

Y1 - 1995/1/1

N2 - 13C NMR differences of chemical shifts (δx — δH) of allyl carbon atoms in a series of (1,2-bis(diphenylphosphino)ethane)(η3-1-(4-X-phenyl)allyl)palladium tetrafluoroborates, X ranging from NO2 to OMe, correlate very well (r > 0.994) with σ Hammett constants. However, 31P NMR differences of the ligand cis and trans phosphorus atoms correlate well with σ and with σ+, respectively. These data indicate that the positive charge density of the cation is localized mainly in the P—Pd—P region. © 1995, American Chemical Society. All rights reserved.

AB - 13C NMR differences of chemical shifts (δx — δH) of allyl carbon atoms in a series of (1,2-bis(diphenylphosphino)ethane)(η3-1-(4-X-phenyl)allyl)palladium tetrafluoroborates, X ranging from NO2 to OMe, correlate very well (r > 0.994) with σ Hammett constants. However, 31P NMR differences of the ligand cis and trans phosphorus atoms correlate well with σ and with σ+, respectively. These data indicate that the positive charge density of the cation is localized mainly in the P—Pd—P region. © 1995, American Chemical Society. All rights reserved.

U2 - 10.1021/om00005a050

DO - 10.1021/om00005a050

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JO - Organometallics

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