Item type:Doctoral Thesis, Open Access

Quantenchemische Untersuchungen zur chemischen Bindung von Metall-Metall-, Metall-Ligand- und Element-Elementbindungen

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Date

2004-07-22

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Philipps-Universität Marburg
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Abstract

Quantum Chemical calculations (DFT, ab-initio) have been carried out in order to investigate the chemical bonding in terms of an energy partitioning analysis. Sandwichcomplexes, isoelectronic to ferrocene, with ligands of the heavier group 15 elements, the rhenium-rhenium bond in Re2Cl8^2-, the isomers of Si2H2 and heavier analogues, as well as the chemical bonding in XeF6 have been treated.

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Dates
Created: 2004Issued: 2004-07-22Updated: 2011-08-10
DOI
https://doi.org/10.17192/z2004.0157
Faculty
Fachbereich Chemie
Publisher
Philipps-Universität Marburg
Language
ger
Data types
DoctoralThesis
Keywords
Metall-Ligand-BindungSandwich complexesSandwichkomplexeMetall-Metall-BindungMetal-metal-bondingEnergiepartitionierung (EPA)Metal-ligand bondingEnergy partitioning analysis (EPA)
DFG-subjects
Chemische Bindung / TheorieQuantenchemieAb-initio-RechnungDichtefunktionalformalismus
DDC-Numbers
540
License
https://rightsstatements.org/vocab/InC-NC/1.0/
URI
https://open.uni-marburg.de/handle/10.17192/z2004.0157
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Lein, Dirk Matthias: Quantenchemische Untersuchungen zur chemischen Bindung von Metall-Metall-, Metall-Ligand- und Element-Elementbindungen. : Philipps-Universität Marburg 2004-07-22. DOI: https://doi.org/10.17192/z2004.0157.

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