Synthesis and Characterization of [Fe3(As3)3(As4)]3−, a Binary Fe/As Zintl Cluster With an Fe3 Core

We report here the synthesis and structural characterization of the first binary iron arsenide cluster anion, [Fe3(As3)3(As4)]3−, present in both [K([2.2.2]crypt)]3[Fe3(As3)3(As4)] (1) and [K(18‐crown‐6)]3[Fe3(As3)3(As4)]⋅en (2). The cluster contains an Fe3 triangle with three short Fe−Fe bond lengt...

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Published inAngewandte Chemie International Edition Vol. 62; no. 11; pp. e202217316 - n/a
Main Authors Zhang, Wei‐Qiang, Li, Zi‐Sheng, McGrady, John E., Sun, Zhong‐Ming
Format Journal Article
LanguageEnglish
Published Weinheim Wiley Subscription Services, Inc 06.03.2023
EditionInternational ed. in English
Subjects
Arsenic
Arsenides
Clusters
Density Functional Theory
Electronic structure
Fe−Fe Bond
Iron
Iron Arsenide
Structural analysis
Synthesis
X-Ray Crystallography
Zintl Cluster
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Summary:We report here the synthesis and structural characterization of the first binary iron arsenide cluster anion, [Fe3(As3)3(As4)]3−, present in both [K([2.2.2]crypt)]3[Fe3(As3)3(As4)] (1) and [K(18‐crown‐6)]3[Fe3(As3)3(As4)]⋅en (2). The cluster contains an Fe3 triangle with three short Fe−Fe bond lengths (2.494(1) Å, 2.459(1) Å and 2.668(2) Å for 1, 2.471(1) Å, 2.473(1) Å and 2.660(1) Å for 2), bridged by a 2‐butene‐like As4 unit. An analysis of the electronic structure using DFT reveals a triplet ground state with direct Fe−Fe bonds stabilizing the Fe3 core. The binary iron arsenide cluster, [Fe3(As3)3(As4)]3−, contains a triangular Fe3 core with short Fe−Fe bonds.
Bibliography:These authors contributed equally to this work.
ObjectType-Article-1
SourceType-Scholarly Journals-1
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content type line 23
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.202217316