Volume 125, Issue 16 pp. 4476-4479

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Microhydration Effects on the Intermediates of the S_N2 Reaction of Iodide Anion with Methyl Iodide^†

Keisuke Doi,

Keisuke Doi

Department of Chemistry, Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan)

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Eijiro Togano,

Eijiro Togano

Department of Chemistry, Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan)

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Dr. Sotiris S. Xantheas,

Dr. Sotiris S. Xantheas

Chemical and Materials Sciences Division, Pacific Northwest National Laboratory, Richland, WA 99352 (USA)

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Ryuzo Nakanishi,

Ryuzo Nakanishi

Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Tokyo 153-8902 (Japan)

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Prof. Takashi Nagata,

Prof. Takashi Nagata

Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Tokyo 153-8902 (Japan)

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Prof. Takayuki Ebata,

Prof. Takayuki Ebata

Department of Chemistry, Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan)

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Dr. Yoshiya Inokuchi,

Corresponding Author

Dr. Yoshiya Inokuchi

[email protected]

Department of Chemistry, Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan)

Department of Chemistry, Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan)===Search for more papers by this author

Keisuke Doi,

Keisuke Doi

Department of Chemistry, Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan)

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Eijiro Togano,

Eijiro Togano

Department of Chemistry, Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan)

Search for more papers by this author

Dr. Sotiris S. Xantheas,

Dr. Sotiris S. Xantheas

Chemical and Materials Sciences Division, Pacific Northwest National Laboratory, Richland, WA 99352 (USA)

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Ryuzo Nakanishi,

Ryuzo Nakanishi

Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Tokyo 153-8902 (Japan)

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Prof. Takashi Nagata,

Prof. Takashi Nagata

Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Tokyo 153-8902 (Japan)

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Prof. Takayuki Ebata,

Prof. Takayuki Ebata

Department of Chemistry, Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan)

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Dr. Yoshiya Inokuchi,

Corresponding Author

Dr. Yoshiya Inokuchi

[email protected]

Department of Chemistry, Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan)

Department of Chemistry, Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan)===Search for more papers by this author

First published: 30 January 2013

https://doi.org/10.1002/ange.201207697

Citations: 10

^†

This work is supported by Grant-in-Aids (21350016) for Scientific Research from the Ministry of Education, Culture, Sports, Science, and Technology (MEXT) of Japan. S.S.X. acknowledges support from the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for the DOE by Battelle.

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Graphical Abstract

Wasser funkt dazwischen: Hydratisierte I⁻(CH₃I)-Komplexe, I⁻(CH₃I)(H₂O)_1–3, wurden durch IR-Photodissoziationsspektroskopie untersucht, um die Zwischenstufen der S_N2-Reaktion I⁻+ CH₃I → ICH₃+ I⁻ unter hydratisierten Bedingungen zu identifizieren. Aus den Strukturen und Energetiken der Komplexe kann gefolgert werden, dass ein oder zwei H₂O-Moleküle genügen, um diese S_N2-Reaktion wirksam zu unterdrücken.

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Volume125, Issue16

April 15, 2013

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Microhydration Effects on the Intermediates of the S_N2 Reaction of Iodide Anion with Methyl Iodide^†

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Microhydration Effects on the Intermediates of the SN2 Reaction of Iodide Anion with Methyl Iodide†

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Microhydration Effects on the Intermediates of the S_N2 Reaction of Iodide Anion with Methyl Iodide^†