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• W2904665258 abstract "A series of three Mo2 dimers bridged by a meta-phenylene group has been studied in terms of electronic coupling (EC) and electron transfer (ET) in comparison with the para isomers. Optical analyses on the mixed-valence complexes indicate that by replacing a para-phenylene bridge with a meta one, the EC between the two Mo2 centers is dramatically weakened; consequently, the ET rates (ket ) are lowered by two to three orders of magnitude. In the para series, the EC parameters (Hab ) and ET rates (ket ) are greatly affected by O/S atomic alternation of the bridging ligand. However, for the meta analogues, similar EC and ET parameters are obtained, that is, Hab =300-400 cm-1 and ket ≈109 s-1 . These results suggest that through-σ-bond and/or through-space coupling channels become operative as the π conjugation is disabled. DFT calculations reveal that destructive quantum interference features seen for the meta series arise from the cancellation of two π-conjugated coupling pathways." @default.
• W2904665258 created "2018-12-22" @default.
• W2904665258 creator A5014673300 @default.
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• W2904665258 creator A5038645349 @default.
• W2904665258 creator A5089023194 @default.
• W2904665258 creator A5090900533 @default.
• W2904665258 date "2019-02-12" @default.
• W2904665258 modified "2023-09-26" @default.
• W2904665258 title "Electronic Coupling and Electron Transfer between Two Mo ₂ Units through <i>meta</i> ‐ and <i>para</i> ‐Phenylene Bridges" @default.
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• W2904665258 doi "https://doi.org/10.1002/chem.201805866" @default.
• W2904665258 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30561861" @default.
• W2904665258 hasPublicationYear "2019" @default.
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