Synthesis, characterization, electrochemical properties and theoretical calculations of (BIAN) iron complexes

Patrick J. Larson; Francis S. Wekesa; Arpita Singh; Cecilia R. Smith; Amit Rajput; Gregory P. McGovern; Daniel K. Unruh; Anthony F. Cozzolino; Michael Findlater

doi:10.1016/j.poly.2018.11.060

Synthesis, characterization, electrochemical properties and theoretical calculations of (BIAN) iron complexes

Patrick J. Larson, Francis S. Wekesa, Arpita Singh, Cecilia R. Smith, Amit Rajput, Gregory P. McGovern, Daniel K. Unruh, Anthony F. Cozzolino, Michael Findlater

Chemistry and Biochemistry

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

Reduction of the tetrahedral complex (BIAN)FeCl₂ (6) (BIAN = 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene) in the presence of an arene, either as reaction solvent or in pentane solution affords a series of (BIAN)Fe(η⁶-arene) complexes (10–13). In the case of the sterically encumbered arene 2-methylnapthalene, 6 was converted to the (BIAN)Fe(COD) (14) (COD = 1,5-cyclooctadiene) complex first, before subsequent hydrogenation in the presence of 2-methylnaphthalene afforded the desired arene complex (15). The electronic structure of the arene complexes was interrogated, and the question of ligand redox non-innocence was addressed using X-ray diffraction studies as well as DFT and cyclic voltammetry.

Original language	English
Pages (from-to)	365-374
Number of pages	10
Journal	Polyhedron
Volume	159
DOIs	https://doi.org/10.1016/j.poly.2018.11.060
State	Published - Feb 1 2019

Keywords

BIAN
Cyclic voltammetry
Iron
Redox non-innocence
X-ray crystallography

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10.1016/j.poly.2018.11.060

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@article{4426bda3207d44bbb0a8df6bc0a8952d,

title = "Synthesis, characterization, electrochemical properties and theoretical calculations of (BIAN) iron complexes",

abstract = "Reduction of the tetrahedral complex (BIAN)FeCl2 (6) (BIAN = 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene) in the presence of an arene, either as reaction solvent or in pentane solution affords a series of (BIAN)Fe(η6-arene) complexes (10–13). In the case of the sterically encumbered arene 2-methylnapthalene, 6 was converted to the (BIAN)Fe(COD) (14) (COD = 1,5-cyclooctadiene) complex first, before subsequent hydrogenation in the presence of 2-methylnaphthalene afforded the desired arene complex (15). The electronic structure of the arene complexes was interrogated, and the question of ligand redox non-innocence was addressed using X-ray diffraction studies as well as DFT and cyclic voltammetry.",

keywords = "BIAN, Cyclic voltammetry, Iron, Redox non-innocence, X-ray crystallography",

author = "Larson, {Patrick J.} and Wekesa, {Francis S.} and Arpita Singh and Smith, {Cecilia R.} and Amit Rajput and McGovern, {Gregory P.} and Unruh, {Daniel K.} and Cozzolino, {Anthony F.} and Michael Findlater",

note = "Funding Information: We thank the National Science Foundation (CHE-1554906 to MF) and the Robert A. Welch Foundation (AFC grant D-1838 and MF grant D-1807) for financial support. Funding Information: We thank the National Science Foundation ( CHE-1554906 to MF) and the Robert A. Welch Foundation (AFC grant D-1838 and MF grant D-1807 ) for financial support. Publisher Copyright: {\textcopyright} 2018 Elsevier Ltd",

year = "2019",

month = feb,

day = "1",

doi = "10.1016/j.poly.2018.11.060",

language = "English",

volume = "159",

pages = "365--374",

journal = "Polyhedron",

issn = "0277-5387",

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Synthesis, characterization, electrochemical properties and theoretical calculations of (BIAN) iron complexes. / Larson, Patrick J.; Wekesa, Francis S.; Singh, Arpita; Smith, Cecilia R.; Rajput, Amit; McGovern, Gregory P.; Unruh, Daniel K.; Cozzolino, Anthony F.; Findlater, Michael.

In: Polyhedron, Vol. 159, 01.02.2019, p. 365-374.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Synthesis, characterization, electrochemical properties and theoretical calculations of (BIAN) iron complexes

AU - Larson, Patrick J.

AU - Wekesa, Francis S.

AU - Singh, Arpita

AU - Smith, Cecilia R.

AU - Rajput, Amit

AU - McGovern, Gregory P.

AU - Unruh, Daniel K.

AU - Cozzolino, Anthony F.

AU - Findlater, Michael

N1 - Funding Information: We thank the National Science Foundation (CHE-1554906 to MF) and the Robert A. Welch Foundation (AFC grant D-1838 and MF grant D-1807) for financial support. Funding Information: We thank the National Science Foundation ( CHE-1554906 to MF) and the Robert A. Welch Foundation (AFC grant D-1838 and MF grant D-1807 ) for financial support. Publisher Copyright: © 2018 Elsevier Ltd

PY - 2019/2/1

Y1 - 2019/2/1

N2 - Reduction of the tetrahedral complex (BIAN)FeCl2 (6) (BIAN = 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene) in the presence of an arene, either as reaction solvent or in pentane solution affords a series of (BIAN)Fe(η6-arene) complexes (10–13). In the case of the sterically encumbered arene 2-methylnapthalene, 6 was converted to the (BIAN)Fe(COD) (14) (COD = 1,5-cyclooctadiene) complex first, before subsequent hydrogenation in the presence of 2-methylnaphthalene afforded the desired arene complex (15). The electronic structure of the arene complexes was interrogated, and the question of ligand redox non-innocence was addressed using X-ray diffraction studies as well as DFT and cyclic voltammetry.

AB - Reduction of the tetrahedral complex (BIAN)FeCl2 (6) (BIAN = 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene) in the presence of an arene, either as reaction solvent or in pentane solution affords a series of (BIAN)Fe(η6-arene) complexes (10–13). In the case of the sterically encumbered arene 2-methylnapthalene, 6 was converted to the (BIAN)Fe(COD) (14) (COD = 1,5-cyclooctadiene) complex first, before subsequent hydrogenation in the presence of 2-methylnaphthalene afforded the desired arene complex (15). The electronic structure of the arene complexes was interrogated, and the question of ligand redox non-innocence was addressed using X-ray diffraction studies as well as DFT and cyclic voltammetry.

KW - BIAN

KW - Cyclic voltammetry

KW - Iron

KW - Redox non-innocence

KW - X-ray crystallography

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DO - 10.1016/j.poly.2018.11.060

M3 - Article

AN - SCOPUS:85059056795

VL - 159

SP - 365

EP - 374

JO - Polyhedron

JF - Polyhedron

SN - 0277-5387

ER -

Synthesis, characterization, electrochemical properties and theoretical calculations of (BIAN) iron complexes

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Keywords

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