Mössbauer and molecular orbital (MO) study of localized and delocalized mixed-valence organo-FeIIFeI bisandwiches

J. Guillin; M. H. Desbois; J. P. Mariot; S. Lauer; A. Trautwein; F. Varret; D. Astruc

doi:10.1007/BF02061557

Mössbauer and molecular orbital (MO) study of localized and delocalized mixed-valence organo-Fe^IIFe^I bisandwiches

J. Guillin^*, M. H. Desbois, J. P. Mariot, S. Lauer, A. Trautwein, F. Varret, D. Astruc

^*Corresponding author for this work

Institute of Physics

6 Citations (Scopus)

Abstract

A Mössbauer study of two mixed-valence Fe^IIFe^I compounds C₅H₅Fe(C₅H₄)₂ FeC₆(CH₃)₆ (1) and |C₆(CH₃)₆ Fe(C₅H₄)₂ Fe C₆(CH₃)₆|⁺ (2⁺) was carried out from 4.2K to room temperature. Zero-field spectra show two types of iron atoms for 1 and one type for 2⁺. Hence 1 is a localized mixed-valence complex and 2⁺ a delocalized mixed-valence complexe. High magnetic field spectra for 2⁺ give a negative sign for the EFG and show the valence electron is delocalized on the two centers. IEHT-MO calculations confirm the results and allow to explain the temperature independence of the quadrupole splitting (QS) of 2⁺.

Original language	English
Journal	Hyperfine Interactions
Volume	28
Issue number	1-4
Pages (from-to)	761-764
Number of pages	4
ISSN	0304-3834
DOIs	https://doi.org/10.1007/BF02061557
Publication status	Published - 01.02.1986

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title = "M{\"o}ssbauer and molecular orbital (MO) study of localized and delocalized mixed-valence organo-FeIIFeI bisandwiches",

abstract = "A M{\"o}ssbauer study of two mixed-valence FeIIFeI compounds C5H5Fe(C5H4)2 FeC6(CH3)6 (1) and |C6(CH3)6 Fe(C5H4)2 Fe C6(CH3)6|+ (2+) was carried out from 4.2K to room temperature. Zero-field spectra show two types of iron atoms for 1 and one type for 2+. Hence 1 is a localized mixed-valence complex and 2+ a delocalized mixed-valence complexe. High magnetic field spectra for 2+ give a negative sign for the EFG and show the valence electron is delocalized on the two centers. IEHT-MO calculations confirm the results and allow to explain the temperature independence of the quadrupole splitting (QS) of 2+.",

author = "J. Guillin and Desbois, {M. H.} and Mariot, {J. P.} and S. Lauer and A. Trautwein and F. Varret and D. Astruc",

year = "1986",

month = feb,

day = "1",

doi = "10.1007/BF02061557",

language = "English",

volume = "28",

pages = "761--764",

journal = "Hyperfine Interactions",

issn = "0304-3834",

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T1 - Mössbauer and molecular orbital (MO) study of localized and delocalized mixed-valence organo-FeIIFeI bisandwiches

AU - Guillin, J.

AU - Desbois, M. H.

AU - Mariot, J. P.

AU - Lauer, S.

AU - Trautwein, A.

AU - Varret, F.

AU - Astruc, D.

PY - 1986/2/1

Y1 - 1986/2/1

N2 - A Mössbauer study of two mixed-valence FeIIFeI compounds C5H5Fe(C5H4)2 FeC6(CH3)6 (1) and |C6(CH3)6 Fe(C5H4)2 Fe C6(CH3)6|+ (2+) was carried out from 4.2K to room temperature. Zero-field spectra show two types of iron atoms for 1 and one type for 2+. Hence 1 is a localized mixed-valence complex and 2+ a delocalized mixed-valence complexe. High magnetic field spectra for 2+ give a negative sign for the EFG and show the valence electron is delocalized on the two centers. IEHT-MO calculations confirm the results and allow to explain the temperature independence of the quadrupole splitting (QS) of 2+.

AB - A Mössbauer study of two mixed-valence FeIIFeI compounds C5H5Fe(C5H4)2 FeC6(CH3)6 (1) and |C6(CH3)6 Fe(C5H4)2 Fe C6(CH3)6|+ (2+) was carried out from 4.2K to room temperature. Zero-field spectra show two types of iron atoms for 1 and one type for 2+. Hence 1 is a localized mixed-valence complex and 2+ a delocalized mixed-valence complexe. High magnetic field spectra for 2+ give a negative sign for the EFG and show the valence electron is delocalized on the two centers. IEHT-MO calculations confirm the results and allow to explain the temperature independence of the quadrupole splitting (QS) of 2+.

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ER -

Mössbauer and molecular orbital (MO) study of localized and delocalized mixed-valence organo-Fe^IIFe^I bisandwiches

Abstract

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