@article{fd659882387d4e84ae3b6b21761670b0,
title = "Fundamental electron-transfer and proton-coupled electron-transfer properties of Ru(iv)-oxo complexes",
abstract = "Isolation and characterisation of RuIV(O) complexes were accomplished to investigate their fundamental electron transfer (ET) and proton-coupled ET (PCET) properties. Reorganisation energies (λ) in electron transfer (ET) and proton-coupled ET (PCET) from electron donors to the isolated RuIV(O) complexes have been determined for the first time to be in the range of 1.70-1.88 eV (ET) and 1.20-1.26 eV (PCET). It was suggested that the reduction of the λ values of PCET in comparison with those of ET should be due to the smaller structural change in PCET than that in ET on the basis of DFT calculations on 1 and 1e--reduced 1 in the absence and presence of TFA, respectively. In addition, the smaller λ values for the RuIV(O) complexes than those reported for FeIV(O) and MnIV(O) complexes should be due to the lack of participation of dσ orbitals in the ET and PCET reactions. This is the first example to evaluate fundamental ET and PCET properties of RuIV(O) complexes leading to further understanding of their reactivity in oxidation reactions.",
author = "Hiroaki Kotani and Hinatsu Shimomura and Momoka Horimoto and Tomoya Ishizuka and Yoshihito Shiota and Kazunari Yoshizawa and Sachiko Yanagisawa and Yuka Kawahara-Nakagawa and Minoru Kubo and Takahiko Kojima",
note = "Funding Information: This work was supported by Grants-in-Aid (No. 17H03027 and 17K14456) from the Japan Society of Promotion of Science (JSPS, MEXT) of Japan and the Cooperative Research Program of {"}Network Joint Research Center for Materials and Devices{"}. Financial supports through CREST (JST) are also appreciated (JPMJCR16P1 for T.K. and JPMJCR15P5 for K.Y.). We also appreciate Dr Takashi Kikuchi (Rigaku Corporation) for cooperation in X-ray crystallographic analysis on 2. Funding Information: This work was supported by Grants-in-Aid (No. 17H03027 and 17K14456) from the Japan Society of Promotion of Science (JSPS, MEXT) of Japan and the Cooperative Research Program of “Network Joint Research Center for Materials and Devices”. Financial supports through CREST (JST) are also appreciated (JPMJCR16P1 for T.K. and JPMJCR15P5 for K.Y.). We also appreciate Dr Takashi Kikuchi (Rigaku Corporation) for cooperation in X-ray crystallographic analysis on 2. Publisher Copyright: {\textcopyright} The Royal Society of Chemistry.",
year = "2019",
doi = "10.1039/c9dt02734c",
language = "English",
volume = "48",
pages = "13154--13161",
journal = "Dalton Transactions",
issn = "1477-9226",
publisher = "Royal Society of Chemistry",
number = "35",
}