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Ultrafast Wiggling and Jiggling: Ir2(1,8-diisocyanomenthane)4 2+

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F17%3A00481864" target="_blank" >RIV/61388955:_____/17:00481864 - isvavai.cz</a>

  • Alternative codes found

    RIV/60461373:22310/17:43914021

  • Result on the web

    <a href="http://dx.doi.org/10.1021/acs.jpca.7b10215" target="_blank" >http://dx.doi.org/10.1021/acs.jpca.7b10215</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1021/acs.jpca.7b10215" target="_blank" >10.1021/acs.jpca.7b10215</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Ultrafast Wiggling and Jiggling: Ir2(1,8-diisocyanomenthane)4 2+

  • Original language description

    Binuclear complexes of d(8) metals (Pt-II, Ir-I, Rh-I,) exhibit diverse photonic behavior, including dual emission from relatively long-lived singlet and triplet excited states, as well as photochemical energy, electron, and atom transfer. Time-resolved optical spectroscopic and X-ray studies have revealed the behavior of the dimetallic core, confirming that M-M bonding is strengthened upon d sigma* -> p sigma excitation. We report the bridging ligand dynamics of Ir-2(1,8-diisocyanomenthane)(4)(2+) (Ir(dimen)), investigated by fs-ns time-resolved IR spectroscopy (TRIR) in the region of C N stretching vibrations, nu(C N), 2000-2300 cm(-1). The nu(C N) IR band of the singlet and triplet d sigma*p sigma excited states is shifted by -22 and -16 cm(-1) relative to the ground state due to delocalization of the p sigma LUMO over the bridging ligands. Ultrafast relaxation dynamics of the (1)d sigma*p sigma state depend on the initially excited Franck-Condon molecular geometry, whereby the same relaxed singlet excited state is populated by two different pathways depending on the starting point at the excited-state potential energy surface. Exciting the long/eclipsed isomer triggers two-stage structural relaxation: 0.5 ps large-scale Ir-Ir contraction and 5 ps Ir-Ir contraction/intramolecular rotation. Exciting the short/twisted isomer induces a similar to 5 ps bond shortening combined with vibrational cooling. Intersystem crossing (70 ps) follows, populating a 3d sigma*p sigma state that lives for hundreds of nanoseconds. During the first 2 ps, the nu(C N) IR bandwidth oscillates with the frequency of the nu(Ir-Ir) wave packet, ca. 80 cm(-1), indicating that the dephasing time of the high-frequency (16 fs)(-1) C N stretch responds to much slower (similar to 400 fs)(-1) Ir-Ir coherent oscillations.

  • 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

    Result was created during the realization of more than one project. More information in the Projects tab.

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Others

  • Publication year

    2017

  • 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 Physical Chemistry A

  • ISSN

    1089-5639

  • e-ISSN

  • Volume of the periodical

    121

  • Issue of the periodical within the volume

    48

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    9

  • Pages from-to

    9275-9283

  • UT code for WoS article

    000417672000011

  • EID of the result in the Scopus database

    2-s2.0-85037740393