地理的に明確な鉄の中心を持つディメリック・ヒドリド・ブリッジ・コンプレックスで,S=3の地面状態に上昇する

Anne K Hickey¹, Samuel M Greer², Juan A Valdez-Moreira¹

¹Department of Chemistry , Indiana University , 800 East Kirkwood Avenue , Bloomington , Indiana 47405 , United States.

Journal of the American Chemical Society

|July 9, 2019

まとめ

この研究では独特の二次元鉄水化物複合体と独特の鉄部位を詳細に説明しています鉄の中心間の鉄磁気結合は,スペクトロスコーピで確認された安定したS = 3基底状態をもたらします.

科学分野:

無機化学
材料科学
スペクトロスコーピー

背景:

ディメリック鉄水素複合体は,そのユニークな電子および磁気特性のために興味があります.
このようなシステムにおける構造,結合,磁気結合の相互作用を理解することは,新しい機能的材料を設計する上で極めて重要です.

研究の目的:

新しい二次元鉄水化物複合体 [Ph2B ((tBuIm) 2FeH) ]2の構造と磁性特性を記述する.
電子構造と観測されたスピン構成と鉄磁気結合を制御する要因を解明する.

主な方法:

単一結晶X線微分法で構造を決定する.
探査機の磁気結合に対する磁気感受性測定
電子構造の確認のための高周波およびフィールド電子パラマグネティック共振 (HFEPR) スペクトロスコーピー.
電子構造の計算と分子軌道分析

主要な成果:

複合体は,四面体鉄 (S=2) と2つのヒドリドリガンドで橋渡しされた正方形の平面鉄 (S=1) の異様な構造を示している.
鉄の中心間の強い鉄磁気結合 (J = +110~12) が観察され,全体的なS=3基底状態に至った.
HFEPR光譜と電子構造の計算は,提案されたモデルとコヴァレンントヒドリドリガンドの作用を媒介するカップリングをサポートします.

結論:

二次鉄水素複合体は,異なる鉄の断片の直角的配列から生じるユニークなスピン構成を示す.
強い鉄磁気結合は,橋渡しヒドリドリガンドの高度な共振性によるものである.
この研究は,多核金属複合体における磁気相互作用を支配する基本的な原理の洞察を提供します.

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