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
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Call Number: urn:nbn:de:hebis:04-z2011-00434
Downloads: 3 (2020), 57 (2019), 59 (2018), 51 (2017), 39 (2016)
Publication Date: 2011-01-20
License: According to UrhG § 31 (2), the author has granted the University Library Marburg the right of use for electronic publication on the Internet and for archiving on its archive server. He has declared that with the granting of the right of use according to UrhG § 31 (3) no exclusive rights of third parties are violated. All other rights for the exploitation of the publication remain with the author. https://rightsstatements.org/vocab/InC-NC/1.0/
Access URL: https://archiv.ub.uni-marburg.de/diss/z2011/0043
https://doi.org/10.17192/z2011.0043