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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

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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	Yamane, Takeshi / Sugisaki, Kenji / Matsuoka, Hideto / Sato, Kazunobu / Toyota, Kazuo / Shiomi, Daisuke / Takui, Takeji
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	https://dlisv03.media.osaka-cu.ac.jp/il/meta_pub/G0000438repository_14779234-47-46-16429
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	https://orcid.org/0000-0003-2266-6412
2人目の著者情報 : KAKEN	https://nrid.nii.ac.jp/nrid/1000070514529
2人目の著者情報 : その他	https://orcid.org/0000-0002-1950-5725
3人目の著者情報 : KAKEN	https://nrid.nii.ac.jp/nrid/1000090414002
3人目の著者情報 : その他	https://orcid.org/0000-0001-8269-1869
4人目の著者情報 : KAKEN	https://nrid.nii.ac.jp/nrid/1000090264796
4人目の著者情報 : その他	https://orcid.org/0000-0003-1274-7470
5人目の著者情報 : KAKEN	https://nrid.nii.ac.jp/nrid/1000060347482
5人目の著者情報 : その他	https://orcid.org/0000-0003-4025-7217
6人目の著者情報 : KAKEN	https://nrid.nii.ac.jp/nrid/1000040260799
6人目の著者情報 : その他	https://orcid.org/0000-0002-7135-547X
7人目の著者情報 : KAKEN	https://nrid.nii.ac.jp/nrid/1000010117955
7人目の著者情報 : その他	https://orcid.org/0000-0001-6238-5215
収録物名	Dalton Transactions
巻	047
号	46
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	学術雑誌論文
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	https://doi.org/10.1039/C8DT02988A

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