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Sunlight-induced dehydrogenation rearrangement of the dititanium complex [Ti(eta(5)-C5HMe4)(mu-eta(1) : eta(5)-C5Me4)](2)

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F21%3A00538224" target="_blank" >RIV/61388955:_____/21:00538224 - isvavai.cz</a>

  • Result on the web

    <a href="http://hdl.handle.net/11104/0316048" target="_blank" >http://hdl.handle.net/11104/0316048</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1016/j.jorganchem.2020.121663" target="_blank" >10.1016/j.jorganchem.2020.121663</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Sunlight-induced dehydrogenation rearrangement of the dititanium complex [Ti(eta(5)-C5HMe4)(mu-eta(1) : eta(5)-C5Me4)](2)

  • Original language description

    Sunlight photolysis of the triplet state (S = 1) dititanium compound 1 induced its rearrangement to diamagnetic 2, which was a molecule containing two hydrogens less. The cage structure of 2 was determined by single crystal X-ray diffraction and was corroborated fully by 1H and 13C NMR spectra that identified three simple bridging moieties — a hydrogen atom, a methine carbon and a methylene carbon. Its extremely short Ti−Ti distance 2.7537(7) Å causes a strong distortion of the bridging fulvalene ligand, which becomes η5- bonded to one Ti(IV) and connected by two σ-bonds from nearest carbon atoms of its other ring to the other Ti(IV) of 2. Other photolytical byproducts in very minor amounts were also isolated, which differed from 2 by the absence of one bridging moiety: compound 4 lacked the methine group and compound 5 had no bridging hydrogen. In the latter cases, the Ti−Ti distance fell in the range 3.2077(8) – 3.5543(12) Å and the fulvalene ligand was coordinated in the common µ-η5: η5-mode to both titanium atoms. The octamethylfulvalene ligands in 4 and 5 had their ring planes rotated mutually by about 40° in order to relieve the steric hindrance between their methyl groups. The thermally robust µ-oxo complex 3 obtained from reacting 2 with water showed a very similar structure.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10403 - Physical chemistry

Result continuities

  • Project

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2021

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Journal of Organometallic Chemistry

  • ISSN

    0022-328X

  • e-ISSN

    1872-8561

  • Volume of the periodical

    934

  • Issue of the periodical within the volume

    FEB 2021

  • Country of publishing house

    CH - SWITZERLAND

  • Number of pages

    10

  • Pages from-to

    121663

  • UT code for WoS article

    000612238600001

  • EID of the result in the Scopus database

    2-s2.0-85098589151