Optical Spectroscopic Probes of Mixed Valence Systems

Clark, Robin J. H.

doi:10.1007/978-94-011-3606-8_15

Mixed Valency Systems: Applications in Chemistry, Physics and Biology 1991

DOI: 10.1007/978-94-011-3606-8_15

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Optical Spectroscopic Probes of Mixed Valence Systems

Robin J. H. Clark

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1999

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Electron Redistribution in Pt₂(dta)₄I: From Building Blocks to the Infinite Chain. A Theoretical Investigation of Possible Peierls Distortions

1999

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We here present a quantum chemical analysis of the possible Peierls distortions accompanying charge redistribution in the Pt 2 (dta) 4 I infinite chain. Starting with the building block calculations, we point out the participation of the CH 3 CS 2 -(dta) ligand in the mechanism of electron transfer. As the chain grows, the position and the geometry of the equatorial dta ligands are significantly altered. These changes indirectly control the Pt-I distances and lead to noticeable reduction of electron-phonon coupling through bridging halogen. These results agree with experimental data suggesting the involvement of internal degrees of freedom in the electron trapping phenomenon.

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Electron Redistribution in Pt₂(dta)₄I: From Building Blocks to the Infinite Chain. A Theoretical Investigation of Possible Peierls Distortions

1999

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Optical Spectroscopic Probes of Mixed Valence Systems

Cited by 1 publication

References 46 publications

Electron Redistribution in Pt₂(dta)₄I: From Building Blocks to the Infinite Chain. A Theoretical Investigation of Possible Peierls Distortions

Electron Redistribution in Pt₂(dta)₄I: From Building Blocks to the Infinite Chain. A Theoretical Investigation of Possible Peierls Distortions

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Optical Spectroscopic Probes of Mixed Valence Systems

Cited by 1 publication

References 46 publications

Electron Redistribution in Pt2(dta)4I: From Building Blocks to the Infinite Chain. A Theoretical Investigation of Possible Peierls Distortions

Electron Redistribution in Pt2(dta)4I: From Building Blocks to the Infinite Chain. A Theoretical Investigation of Possible Peierls Distortions

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Product

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Electron Redistribution in Pt₂(dta)₄I: From Building Blocks to the Infinite Chain. A Theoretical Investigation of Possible Peierls Distortions

Electron Redistribution in Pt₂(dta)₄I: From Building Blocks to the Infinite Chain. A Theoretical Investigation of Possible Peierls Distortions