Theoretical Investigations of the Acetylene Analogues of Group 14 Elements E2X2 (E=Si-Pb, X=F-I)

In this study, the isomers of E2X2 (E=Si-Pb, X=H, F, Cl, Br and I) were investigated. In most structures, the E-E bond length and the E-X-E angle correlate with the halogen atoms. The relative energies showed that the non-planar doubly bridged structures A are global minima for all investigated E2X2...

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Bibliographic Details
Main Author: Shimizu, Takayasu
Contributors: Frenking, Gernot (Prof. Dr.) (Thesis advisor)
Format: Dissertation
Language:English
Published: Philipps-Universität Marburg 2011
Chemie
Subjects:
DFT
EDA
Online Access:PDF Full Text
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Table of Contents: In dieser Dissertation wurden Isomere der Acetylen-Analoga der Gruppe-14-Elemente untersucht. Die relativen Energien der Isomere zeigen, dass die Schmetterling Strukture das globale Minimum ist und dass die Schmetterlingsstruktur für Si2F2 kein bevorzugtes Isomer ist.