Triphenylamine derivatives with para-disposed pendant electron-rich organoiron alkynyl substituents: Defining the magnetic interactions in a trinuclear iron(III) trication

Guillaume Grelaud; Olivier Cador; Thierry Roisnel; Gilles Argouarch; Marie P. Cifuentes; Mark G. Humphrey; Frédéric Paul

doi:10.1021/om2006358

Triphenylamine derivatives with para-disposed pendant electron-rich organoiron alkynyl substituents: Defining the magnetic interactions in a trinuclear iron(III) trication

Guillaume Grelaud, Olivier Cador, Thierry Roisnel, Gilles Argouarch, Marie P. Cifuentes, Mark G. Humphrey^*, Frédéric Paul

^*Corresponding author for this work

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

13 Citations (Scopus)

Abstract

The syntheses of two triarylamine derivatives featuring one and three electron-rich Fe(II) "(η ²-dppe)(η ⁵-C ₅Me ₅)FeC≡C-" pendant substituents in para position(s) on the aryl rings (1, 2) is reported, along with those of their corresponding radical tri- and monocations (1 ³⁺, 2 ⁺). The former species (1 ³⁺) constitutes a new organometallic triradical. The magnetic interactions between the Fe(III) units in this novel trication were investigated by NMR and SQUID. Its ground spin state was shown to be a doublet, with a "mean" antiferromagnetic coupling constant of J ≈ -14 cm ^-1 between the unpaired spins, from consideration of the classic Hamiltonian for a symmetric C _3v triradical: H = -2J(S _a•S _b + S _b•S _c + S _c•S _a).

Original language	English
Pages (from-to)	1635-1642
Number of pages	8
Journal	Organometallics
Volume	31
Issue number	5
DOIs	https://doi.org/10.1021/om2006358
Publication status	Published - 12 Mar 2012

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title = "Triphenylamine derivatives with para-disposed pendant electron-rich organoiron alkynyl substituents: Defining the magnetic interactions in a trinuclear iron(III) trication",

abstract = "The syntheses of two triarylamine derivatives featuring one and three electron-rich Fe(II) {"}(η 2-dppe)(η 5-C 5Me 5)FeC≡C-{"} pendant substituents in para position(s) on the aryl rings (1, 2) is reported, along with those of their corresponding radical tri- and monocations (1 3+, 2 +). The former species (1 3+) constitutes a new organometallic triradical. The magnetic interactions between the Fe(III) units in this novel trication were investigated by NMR and SQUID. Its ground spin state was shown to be a doublet, with a {"}mean{"} antiferromagnetic coupling constant of J ≈ -14 cm -1 between the unpaired spins, from consideration of the classic Hamiltonian for a symmetric C 3v triradical: H = -2J(S a•S b + S b•S c + S c•S a).",

author = "Guillaume Grelaud and Olivier Cador and Thierry Roisnel and Gilles Argouarch and Cifuentes, {Marie P.} and Humphrey, {Mark G.} and Fr{\'e}d{\'e}ric Paul",

year = "2012",

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doi = "10.1021/om2006358",

language = "English",

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T1 - Triphenylamine derivatives with para-disposed pendant electron-rich organoiron alkynyl substituents

T2 - Defining the magnetic interactions in a trinuclear iron(III) trication

AU - Grelaud, Guillaume

AU - Cador, Olivier

AU - Roisnel, Thierry

AU - Argouarch, Gilles

AU - Cifuentes, Marie P.

AU - Humphrey, Mark G.

AU - Paul, Frédéric

PY - 2012/3/12

Y1 - 2012/3/12

N2 - The syntheses of two triarylamine derivatives featuring one and three electron-rich Fe(II) "(η 2-dppe)(η 5-C 5Me 5)FeC≡C-" pendant substituents in para position(s) on the aryl rings (1, 2) is reported, along with those of their corresponding radical tri- and monocations (1 3+, 2 +). The former species (1 3+) constitutes a new organometallic triradical. The magnetic interactions between the Fe(III) units in this novel trication were investigated by NMR and SQUID. Its ground spin state was shown to be a doublet, with a "mean" antiferromagnetic coupling constant of J ≈ -14 cm -1 between the unpaired spins, from consideration of the classic Hamiltonian for a symmetric C 3v triradical: H = -2J(S a•S b + S b•S c + S c•S a).

AB - The syntheses of two triarylamine derivatives featuring one and three electron-rich Fe(II) "(η 2-dppe)(η 5-C 5Me 5)FeC≡C-" pendant substituents in para position(s) on the aryl rings (1, 2) is reported, along with those of their corresponding radical tri- and monocations (1 3+, 2 +). The former species (1 3+) constitutes a new organometallic triradical. The magnetic interactions between the Fe(III) units in this novel trication were investigated by NMR and SQUID. Its ground spin state was shown to be a doublet, with a "mean" antiferromagnetic coupling constant of J ≈ -14 cm -1 between the unpaired spins, from consideration of the classic Hamiltonian for a symmetric C 3v triradical: H = -2J(S a•S b + S b•S c + S c•S a).

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DO - 10.1021/om2006358

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SN - 0276-7333

VL - 31

SP - 1635

EP - 1642

JO - Organometallics

JF - Organometallics

IS - 5

ER -

Triphenylamine derivatives with para-disposed pendant electron-rich organoiron alkynyl substituents: Defining the magnetic interactions in a trinuclear iron(III) trication

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