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Title: Fluoride Ion Interactions in Alkali-Metal Fluoride-Diol Complexes
Authors: Tonouchi, Yuto
Matsumoto, Kazuhiko  kyouindb  KAKEN_id  orcid https://orcid.org/0000-0002-0770-9210 (unconfirmed)
Nagata, Takashi  kyouindb  KAKEN_id  orcid https://orcid.org/0000-0002-3733-2709 (unconfirmed)
Katahira, Masato  kyouindb  KAKEN_id  orcid https://orcid.org/0000-0003-0336-7660 (unconfirmed)
Hagiwara, Rika  kyouindb  KAKEN_id  orcid https://orcid.org/0000-0002-7234-3980 (unconfirmed)
Author's alias: 松本, 一彦
片平, 正人
萩原, 理加
Keywords: Physical and Theoretical Chemistry
Inorganic Chemistry
Issue Date: 4-May-2020
Publisher: American Chemical Society
Journal title: Inorganic Chemistry
Volume: 59
Issue: 9
Start page: 6631
End page: 6639
Abstract: The activity of F⁻ is an important factor in the design of both inorganic and organic reactions involving fluorine compounds. The present study investigates interactions of F⁻ with diols in alkali-metal fluoride–diol complexes. Increases in the reactivities of alkali-metal fluorides and their solubilities in alcohols is observed with increasing cation size. The difference in alkali-metal ion size produces different structural motifs for F⁻-diol complex salts. The CsF complex salt with ethylene glycol (EG), CsF-EG, has a layered structure, whereas the Rb and K complex salts, (RbF)₅-(EG)₄ and (KF)₅-(EG)₄, form columnar structures. Comparison of the CsF complex salts with three different diols— EG, 1, 3-propylene glycol (PG₁₃), and 1, 4-butylene glycol (PG₁₄)—revealed that the diol chain length affects the bridging mode in their layered structures. EG bridges two OH oxygen atoms within the same CsF layer in CsF-EG, whereas PG₁₃ and BG₁₄ bridge two OH oxygen atoms in different CsF layers in (CsF)₂-PG₁₃ and CsF-BG₁₄, respectively. The F⁻ ion coordination environment involves interactions between alkali-metal ions and H atom(s) in the diol OH groups, where the F⁻···H interactions are more dominant than the F···M⁺ interaction, based on Hirshfeld surface analyses. The O–H bond weakening observed by infrared spectroscopy also reflects the strengths of the F⁻···H interactions in these complex salts.
Rights: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.inorgchem.0c00783.
The full-text file will be made open to the public on 22 April 2021 in accordance with publisher's 'Terms and Conditions for Self-Archiving'.
This is not the published version. Please cite only the published version.
この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。
URI: http://hdl.handle.net/2433/252302
DOI(Published Version): 10.1021/acs.inorgchem.0c00783
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