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

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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Bibliografiske detaljer
Hovedforfatter: Shimizu, Takayasu
Andre forfattere: Frenking, Gernot (Prof. Dr.) (BetreuerIn (Doktorarbeit))
Format: Dissertation
Sprog:engelsk
Udgivet: Philipps-Universität Marburg 2011
Fag:
EDA
Acetylene Analogues
Chemie
Group 14 Elements
DFT
Theoretische Chemie
Gruppe-14-Elemente
Bindungsanalyse
Acetylen-Analoga
Bonding analysis
Chemistry & allied sciences
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