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rdf:type
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Description
| - Monomerní bis(.eta.5-cyclopentadienyl)titanium(II), titanocen, byl přípraven v plynné fází termolýzou komplexu titanocenu s bis(trimethylsilyl)acetylenem. Tato nestabilní sloučenina byla charakterizována metodami hmotnostní spektrometrie. Na základě výpočtů metodou DFT je zřejmé, že tripletní základní stav titanocenu je kineticky stabilní vůči izomeraci. Na základě výpočtu energií pomocí metody DFT byl navržen mechanismus tvorby dimerního titanocenu, ve kterém se předpokláda jako klíčový intermediát bis(.eta.5-cyclopentadienyl)titanium hydrid. (cs)
- Bis(.eta.5-cyclopentadienyl)titanium(II), titanocene, was generated in the gas phase by a thermolysis of the titanocene complex with bis(trimethylsilyl)acetylene. This elusive compound was characterized by means of mass spectrometric methods. Density functional theory (DFT) calculations indicated that the triplet ground state titanocene is kinetically stable towards the unimolecular isomerizations. Based on a DFT calculated energetics, a mechanism of the formation of a titanocene dimer, was proposed, which was based on a formation of bis(.eta.5-cyclopentadienyl)titanium hydride as a key intermediate.
- Bis(.eta.5-cyclopentadienyl)titanium(II), titanocene, was generated in the gas phase by a thermolysis of the titanocene complex with bis(trimethylsilyl)acetylene. This elusive compound was characterized by means of mass spectrometric methods. Density functional theory (DFT) calculations indicated that the triplet ground state titanocene is kinetically stable towards the unimolecular isomerizations. Based on a DFT calculated energetics, a mechanism of the formation of a titanocene dimer, was proposed, which was based on a formation of bis(.eta.5-cyclopentadienyl)titanium hydride as a key intermediate. (en)
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Title
| - Bis(.eta.5-cyclopentadienyl)titanium(II) in the Gas Phase. Mass Spectrometric and Computational Study of the Structure and Reactivity
- Bis(.eta.5-cyclopentadienyl)titanium(II) in the Gas Phase. Mass Spectrometric and Computational Study of the Structure and Reactivity (en)
- Bis(g5-cyclopentadienyl)titanium(II), titanocen v plynné fázi: Hmotnostní spektrometrie a počítačové studie struktury a reaktivity (cs)
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skos:prefLabel
| - Bis(.eta.5-cyclopentadienyl)titanium(II) in the Gas Phase. Mass Spectrometric and Computational Study of the Structure and Reactivity
- Bis(.eta.5-cyclopentadienyl)titanium(II) in the Gas Phase. Mass Spectrometric and Computational Study of the Structure and Reactivity (en)
- Bis(g5-cyclopentadienyl)titanium(II), titanocen v plynné fázi: Hmotnostní spektrometrie a počítačové studie struktury a reaktivity (cs)
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skos:notation
| - RIV/61388955:_____/07:00049072!RIV07-AV0-61388955
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http://linked.open.../vavai/riv/strany
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(IAB4040201), Z(AV0Z40400503)
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/61388955:_____/07:00049072
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - titanocene; titanocene hydride; titanocene dimer; mass-spectrometry; DFT calculation (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - CH - Švýcarská konfederace
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - Journal of Organometallic Chemistry
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Kubišta, Jiří
- Polášek, Miroslav
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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