Mechanism of Thermal Reversal of the (Fulvalene)tetracarbonyldiruthenium Photoisomerization: Toward Molecular Solar–Thermal Energy Storage | Zendy

Kanai Yosuke | Zendy; Srinivasan Varadharajan | Zendy; Meier Steven K. | Zendy; Vollhardt K. Peter C. | Zendy; Grossman Jeffrey C. | Zendy

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Mechanism of Thermal Reversal of the (Fulvalene)tetracarbonyldiruthenium Photoisomerization: Toward Molecular Solar–Thermal Energy Storage

Author(s) -

Kanai Yosuke,

Srinivasan Varadharajan,

Meier Steven K.,

Vollhardt K. Peter C.,

Grossman Jeffrey C.

Publication year - 2010

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.201002994

Subject(s) - diradical , cyclopentadienyl complex , photoisomerization , mechanism (biology) , thermal , kinetics , chemistry , photochemistry , chemical physics , physics , thermodynamics , atomic physics , catalysis , organic chemistry , quantum mechanics , isomerization , singlet state , excited state

A closer look at the title reaction pinpoints a surprising mechanism—a relatively rapid preequilibrium between cyclopentadienyl complex 2 and fulvalene diradical complex 1 precedes the rate‐determining anti – syn rotation and formation of the RuRu bond. The computed energy values agree well with all experimental data, including saturation kinetics for the trapping of the intermediate by CCl 4 . TS=transition state.

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