Influence of electron-donating ability of ligand and pH value on MLCT properties of cyanido-bridged complexes - Details

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Abstract：

In　this　work,　one　mononuclear　complex　CH3CNFeII(eq-Py4PzMe2)　(1)　and　two　binuclear　complexes　Cp(dppe)MIICNFeII(eq-Py4PzMe2)　(M　=　Ru　2,　Fe　3;　Cp　=　cyclopentadiene,　dppe　=　1,2-bis(diphenylphosphino)ethane,　eq-Py4PzMe2　=　2-(1-(6-(1,1-di(pyridin-2-yl)ethyl)pyridin-2-yl)-1-(pyridin-2-yl)ethyl)pyrazine)　were　synthesized.　Combined　with　the　TDDFT　calculations,　the　metal-to-ligand　charge　transfer　(MLCT)　properties　of　all　the　compounds　were　investigated.　The　results　show　that　for　the　mononuclear　complex,　the　MLCT　originates　from　FeII　to　the　pyrazine　(Pz)　component　of　the　eq-Py4PzMe2　ligand.　After　the　substitution　of　CH3CN　in　complex　1　by　the　half-sandwich　fragment　Cp(dppe)MIICN,　the　binuclear　complexes　2　and　3　exhibit　the　MLCT　transition　from　the　neighboring　FeII　atom　to　the　Pz　component　of　the　eq-Py4PzMe2　together　with　some　contributions　from　the　remote　MII.　With　the　increase　of　the　electron-donating　ability　from　CH3CN,　Cp(dppe)RuIICN　to　Cp(dppe)FeIICN,　the　MLCT　transition　energy　decreases.　Furthermore,　with　the　decrease　of　pH　value,　all　the　MLCT　absorption　bands　are　significantly　redshifted　by　160　nm　or　more,　and　the　extent　of　these　red　shifts　increases　from　complex　1　to　2,　to　3.　©　2022　Elsevier　B.V.

Keyword：

Acidification; Cyanido-bridge; Metal to ligand charge transfer (MLCT); Redshift

Community：

[ 1 ] [Li, Y.]College of Chemistry, Fuzhou University, Fujian, Fuzhou, 350108, China
[ 2 ] [Li, Y.]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fujian, Fuzhou, 350002, China
[ 3 ] [Liu, X.-L.]College of Chemistry, Fuzhou University, Fujian, Fuzhou, 350108, China
[ 4 ] [Liu, X.-L.]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fujian, Fuzhou, 350002, China
[ 5 ] [Xu, Q.-D.]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fujian, Fuzhou, 350002, China
[ 6 ] [Wei, Z.-Q.]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fujian, Fuzhou, 350002, China
[ 7 ] [Wu, X.-T.]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fujian, Fuzhou, 350002, China
[ 8 ] [Sheng, T.-L.]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fujian, Fuzhou, 350002, China

Reprint 's Address：

[Sheng, T.-L.]State Key Laboratory of Structural Chemistry, Fujian, China

Email：

tsheng@fjirsm.ac.cn

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Source ：

Inorganic Chemistry Communications

ISSN： 1387-7003

Year： 2022

Volume： 140

3 . 8

JCR@2022

4 . 4 0 0

JCR@2023

ESI HC Threshold：74

JCR Journal Grade：1

CAS Journal Grade：3

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SCOPUS Cited Count：

ESI Highly Cited Papers on the List： 0 Unfold All

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30 Days PV： 1

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