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http://dx.doi.org/10.18419/opus-7386
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DC Element | Wert | Sprache |
---|---|---|
dc.contributor.author | Ensslin, Walther | de |
dc.contributor.author | Bock, Hans | de |
dc.contributor.author | Becker, Gerd | de |
dc.date.accessioned | 2010-10-19 | de |
dc.date.accessioned | 2016-03-31T11:42:55Z | - |
dc.date.available | 2010-10-19 | de |
dc.date.available | 2016-03-31T11:42:55Z | - |
dc.date.issued | 1974 | de |
dc.identifier.other | 348346271 | de |
dc.identifier.uri | http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-57238 | de |
dc.identifier.uri | http://elib.uni-stuttgart.de/handle/11682/7403 | - |
dc.identifier.uri | http://dx.doi.org/10.18419/opus-7386 | - |
dc.description.abstract | The photoelectron (pe) spectra of mono- and disubstituted silyl- and methylacetylenes are assigned by comparison with the corresponding ionization potentials of acetylene, disilane, and ethane. The observed π splittings can be rationalized within a parameterized hyperconjugation model. Calculations using a modified CND0/2 procedure with and without inclusion of 3d orbitals in the basis set demonstrate that the usual parameters tend to overemphasize p,d, back-bonding. To rationalize available experimental data, 3d si orbitals need not to be considered explicitly-neither for the different dipole moments of methyl- and silylacetylenes nor for the general pe spectroscopic pattern of silicon compounds, i.e., high first ionization potential, reduced spin-orbit coupling, or band broadening. | en |
dc.language.iso | en | de |
dc.rights | info:eu-repo/semantics/openAccess | de |
dc.subject.classification | Alkine , Substitutionsreaktion , Photoelektronenspektroskopie | de |
dc.subject.ddc | 540 | de |
dc.title | Photoelectron spectra and molecular properties. 30, Pi-interactions in H3Si- and H3C-substituted acetylenes | en |
dc.type | article | de |
dc.date.updated | 2011-08-08 | de |
ubs.fakultaet | Fakultätsübergreifend / Sonstige Einrichtung | de |
ubs.institut | Sonstige Einrichtung | de |
ubs.opusid | 5723 | de |
ubs.publikation.source | Journal of the American Chemical Society 96 (1974), S. 2757-2762. URL http://dx.doi.org./10.1021/ja00816a017 | de |
ubs.publikation.typ | Zeitschriftenartikel | de |
Enthalten in den Sammlungen: | 15 Fakultätsübergreifend / Sonstige Einrichtung |
Dateien zu dieser Ressource:
Datei | Beschreibung | Größe | Format | |
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bec10.pdf | 432,35 kB | Adobe PDF | Öffnen/Anzeigen |
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