論文名 ESR analyses of picket fence Mn^II and 6th ligand coordinated Fe^III porphyrins (S = 5/2) and a Co^II(hfac) complex (S = 3/2) with sizable ZFS parameters revisited: A full spin Hamiltonian approach and quantum chemical calculations
記事種別等 Paper
著者名 著者名(別言語) 山根, 健史 / 杉崎, 研司 / 松岡, 秀人 / 佐藤, 和信 / 豊田, 和男 / 塩見, 大輔 / 工位, 武治
本文(PDF) ( 1.6MB) ダウンロード回数:
回
この文献へのリンクには次のURLを使用してください 抄録・内容(英) The fictitious spin-1/2 (effective spin-1/2) spin Hamiltonian approach is the putative method to analyze the conventional fine-structure/hyperfine ESR spectra of high spin metallocomplexes with sizable zero-field splitting (ZFS) tensors since early in 1950's, and the approach gives salient principal g^eff-values far from g = 2 without explicitly affording their ZFS values in most cases. The experimental g^eff-values thus determined, however, never agree with those (g^true-values) of the true principal g-tensors, which are obtainable form reliable quantum chemical calculations....
備考 The support by JSPS Grants-in-Aid for Scientific Research (B) and (C) 26400400 and 26400422 from Ministry of Education, Culture, Sports, Science and Technology (Japan) is acknowledged. The support by JSPS KAKENHI Grant Numbers 17H03012, 17K05840 and 18K03465 is also acknowledged. The work was partially supported by Grants-in-Aid for Scientific Research on Innovative Areas (Quantum Cybernetics), Scientific Research (B) (No. 23350011), Grants-in-Aid for Challenging Exploratory Research (No. 25620063) from the Ministry of Education, Culture, Sports, Science and Technology (the MEXT, Japan), and also by FIRST Quantum Information Processing Project, Cabinet Office, Government of Japan and by by Open Advanced Research Facilities Initiative Program from the MEXT, Japan.
言語 eng
ページ開始 16429
ページ終了 16444
著者版フラグ author
著者所属(英) Osaka City University / Osaka City University / Osaka City University / Osaka City University / Osaka City University / Osaka City University / Osaka City University
1人目の著者情報 : その他 2人目の著者情報 : KAKEN 2人目の著者情報 : その他 3人目の著者情報 : KAKEN 3人目の著者情報 : その他 4人目の著者情報 : KAKEN 4人目の著者情報 : その他 5人目の著者情報 : KAKEN 5人目の著者情報 : その他 6人目の著者情報 : KAKEN 6人目の著者情報 : その他 7人目の著者情報 : KAKEN 7人目の著者情報 : その他 収録物名 巻 号 刊行年月 2018-12-14
出版社 Royal Society of Chemistry
ISSN 1477-9234
雑誌書誌ID(NII) AA12303060
資料種別 資料種別(英語) Journal Article
DOI https://doi.org/10.1039/C8DT02988A
権利 The following article has been accepted by Dalton Transactions. After it is published, it will be found at https://doi.org/10.1039/C8DT02988A .
異版である