Formation of polynuclear iron(III) complexes of N-(2-pyridylmethyl)iminodipropanol depending on pseudohalide ions: synthesis, crystal structure, and magnetic properties

Hye Jin Shin; Yoon Jung Jang; Hikaru Zenno; Shinya Hayami; Kil Sik Min

doi:10.1016/j.jiec.2022.03.007

Formation of polynuclear iron(III) complexes of N-(2-pyridylmethyl)iminodipropanol depending on pseudohalide ions: synthesis, crystal structure, and magnetic properties

Hye Jin Shin, Yoon Jung Jang, Hikaru Zenno, Shinya Hayami, Kil Sik Min

Department of Chemical Science Education

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

Abstract

Five polynuclear iron(III) complexes, [(pmidp)Fe(NCSe)]₂ (1), [(pmidp)Fe(NCBH₃)]₂ (2), [(Hpmidp/pmidp)Fe₃(CH₃O)₂(NCS)₄]∙H₂O (3), [(pmidp)₂Fe₆(CH₃O)₄(N₃)₄(CH₃COO)₂O₂] (4), and [(pmidp)₂Fe₆(CH₃O)₄(NCO)₄(CH₃COO)₂O₂]∙2MeOH (5) were isolated through the reactions of N-(2-pyridylmethyl)iminodipropanol (H₂pmidp) and iron(III) ions with different pseudohalide ions. The complexes were studied via X-ray crystal diffraction, Mössbauer spectra, and magnetochemistry. The molecular structures of 1 and 2 were formed as the {Fe₂(µ₂-O_propoxo)₂}²⁺ cores with pmidp²⁻ and NCSe⁻/NCBH₃⁻. The structure of 3 was formed as a {Fe₃(µ₂-OCH₃)₂(µ₂-O_propoxo)₄}⁵⁺ core with Hpmidp⁻/pmidp²⁻ and NCS⁻. The structures of 4 and 5 were formed as {Fe₆(µ₄-O)₂(µ₂-OCH₃)₂(η²-OAc)₂(µ₂-O_propoxo)₄} cores with pmidp²⁻ and NCO⁻/N₃⁻. Structural analyses revealed that the formation of various multinuclear iron(III) moieties depends on the auxiliary ligands. The oxidation states of all the complexes were confirmed as + 3 using the bond valence sum (BVS) calculations and Mössbauer spectral data. The susceptibility data for 1–5 fitted using each spin coupling (J) model indicated that 1–3 showed antiferromagnetic exchange interactions, and 4 and 5 showed the ferromagnetic and antiferromagnetic couplings, simultaneously.

Original language	English
Pages (from-to)	345-356
Number of pages	12
Journal	Journal of Industrial and Engineering Chemistry
Volume	110
DOIs	https://doi.org/10.1016/j.jiec.2022.03.007
State	Published - 25 Jun 2022

Keywords

Crystal engineering
Iron(III) ion
Magnetic properties
Multinuclear compound
Pseudohalide ion

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10.1016/j.jiec.2022.03.007

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@article{13a399dfbd16418f98b86dbdcf68d9bf,

title = "Formation of polynuclear iron(III) complexes of N-(2-pyridylmethyl)iminodipropanol depending on pseudohalide ions: synthesis, crystal structure, and magnetic properties",

abstract = "Five polynuclear iron(III) complexes, [(pmidp)Fe(NCSe)]2 (1), [(pmidp)Fe(NCBH3)]2 (2), [(Hpmidp/pmidp)Fe3(CH3O)2(NCS)4]∙H2O (3), [(pmidp)2Fe6(CH3O)4(N3)4(CH3COO)2O2] (4), and [(pmidp)2Fe6(CH3O)4(NCO)4(CH3COO)2O2]∙2MeOH (5) were isolated through the reactions of N-(2-pyridylmethyl)iminodipropanol (H2pmidp) and iron(III) ions with different pseudohalide ions. The complexes were studied via X-ray crystal diffraction, M{\"o}ssbauer spectra, and magnetochemistry. The molecular structures of 1 and 2 were formed as the {Fe2(µ2-Opropoxo)2}2+ cores with pmidp2− and NCSe−/NCBH3−. The structure of 3 was formed as a {Fe3(µ2-OCH3)2(µ2-Opropoxo)4}5+ core with Hpmidp−/pmidp2− and NCS−. The structures of 4 and 5 were formed as {Fe6(µ4-O)2(µ2-OCH3)2(η2-OAc)2(µ2-Opropoxo)4} cores with pmidp2− and NCO−/N3−. Structural analyses revealed that the formation of various multinuclear iron(III) moieties depends on the auxiliary ligands. The oxidation states of all the complexes were confirmed as + 3 using the bond valence sum (BVS) calculations and M{\"o}ssbauer spectral data. The susceptibility data for 1–5 fitted using each spin coupling (J) model indicated that 1–3 showed antiferromagnetic exchange interactions, and 4 and 5 showed the ferromagnetic and antiferromagnetic couplings, simultaneously.",

keywords = "Crystal engineering, Iron(III) ion, Magnetic properties, Multinuclear compound, Pseudohalide ion",

author = "Shin, {Hye Jin} and Jang, {Yoon Jung} and Hikaru Zenno and Shinya Hayami and Min, {Kil Sik}",

note = "Publisher Copyright: {\textcopyright} 2022 The Korean Society of Industrial and Engineering Chemistry",

year = "2022",

month = jun,

day = "25",

doi = "10.1016/j.jiec.2022.03.007",

language = "English",

volume = "110",

pages = "345--356",

journal = "Journal of Industrial and Engineering Chemistry",

issn = "1226-086X",

publisher = "Korean Society of Industrial Engineering Chemistry",

}

Formation of polynuclear iron(III) complexes of N-(2-pyridylmethyl)iminodipropanol depending on pseudohalide ions: synthesis, crystal structure, and magnetic properties. / Shin, Hye Jin; Jang, Yoon Jung; Zenno, Hikaru et al.
In: Journal of Industrial and Engineering Chemistry, Vol. 110, 25.06.2022, p. 345-356.

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

TY - JOUR

T1 - Formation of polynuclear iron(III) complexes of N-(2-pyridylmethyl)iminodipropanol depending on pseudohalide ions

T2 - synthesis, crystal structure, and magnetic properties

AU - Shin, Hye Jin

AU - Jang, Yoon Jung

AU - Zenno, Hikaru

AU - Hayami, Shinya

AU - Min, Kil Sik

PY - 2022/6/25

Y1 - 2022/6/25

N2 - Five polynuclear iron(III) complexes, [(pmidp)Fe(NCSe)]2 (1), [(pmidp)Fe(NCBH3)]2 (2), [(Hpmidp/pmidp)Fe3(CH3O)2(NCS)4]∙H2O (3), [(pmidp)2Fe6(CH3O)4(N3)4(CH3COO)2O2] (4), and [(pmidp)2Fe6(CH3O)4(NCO)4(CH3COO)2O2]∙2MeOH (5) were isolated through the reactions of N-(2-pyridylmethyl)iminodipropanol (H2pmidp) and iron(III) ions with different pseudohalide ions. The complexes were studied via X-ray crystal diffraction, Mössbauer spectra, and magnetochemistry. The molecular structures of 1 and 2 were formed as the {Fe2(µ2-Opropoxo)2}2+ cores with pmidp2− and NCSe−/NCBH3−. The structure of 3 was formed as a {Fe3(µ2-OCH3)2(µ2-Opropoxo)4}5+ core with Hpmidp−/pmidp2− and NCS−. The structures of 4 and 5 were formed as {Fe6(µ4-O)2(µ2-OCH3)2(η2-OAc)2(µ2-Opropoxo)4} cores with pmidp2− and NCO−/N3−. Structural analyses revealed that the formation of various multinuclear iron(III) moieties depends on the auxiliary ligands. The oxidation states of all the complexes were confirmed as + 3 using the bond valence sum (BVS) calculations and Mössbauer spectral data. The susceptibility data for 1–5 fitted using each spin coupling (J) model indicated that 1–3 showed antiferromagnetic exchange interactions, and 4 and 5 showed the ferromagnetic and antiferromagnetic couplings, simultaneously.

AB - Five polynuclear iron(III) complexes, [(pmidp)Fe(NCSe)]2 (1), [(pmidp)Fe(NCBH3)]2 (2), [(Hpmidp/pmidp)Fe3(CH3O)2(NCS)4]∙H2O (3), [(pmidp)2Fe6(CH3O)4(N3)4(CH3COO)2O2] (4), and [(pmidp)2Fe6(CH3O)4(NCO)4(CH3COO)2O2]∙2MeOH (5) were isolated through the reactions of N-(2-pyridylmethyl)iminodipropanol (H2pmidp) and iron(III) ions with different pseudohalide ions. The complexes were studied via X-ray crystal diffraction, Mössbauer spectra, and magnetochemistry. The molecular structures of 1 and 2 were formed as the {Fe2(µ2-Opropoxo)2}2+ cores with pmidp2− and NCSe−/NCBH3−. The structure of 3 was formed as a {Fe3(µ2-OCH3)2(µ2-Opropoxo)4}5+ core with Hpmidp−/pmidp2− and NCS−. The structures of 4 and 5 were formed as {Fe6(µ4-O)2(µ2-OCH3)2(η2-OAc)2(µ2-Opropoxo)4} cores with pmidp2− and NCO−/N3−. Structural analyses revealed that the formation of various multinuclear iron(III) moieties depends on the auxiliary ligands. The oxidation states of all the complexes were confirmed as + 3 using the bond valence sum (BVS) calculations and Mössbauer spectral data. The susceptibility data for 1–5 fitted using each spin coupling (J) model indicated that 1–3 showed antiferromagnetic exchange interactions, and 4 and 5 showed the ferromagnetic and antiferromagnetic couplings, simultaneously.

KW - Crystal engineering

KW - Iron(III) ion

KW - Magnetic properties

KW - Multinuclear compound

KW - Pseudohalide ion

UR - http://www.scopus.com/inward/record.url?scp=85127362666&partnerID=8YFLogxK

U2 - 10.1016/j.jiec.2022.03.007

DO - 10.1016/j.jiec.2022.03.007

M3 - Article

AN - SCOPUS:85127362666

SN - 1226-086X

VL - 110

SP - 345

EP - 356

JO - Journal of Industrial and Engineering Chemistry

JF - Journal of Industrial and Engineering Chemistry

ER -

Formation of polynuclear iron(III) complexes of N-(2-pyridylmethyl)iminodipropanol depending on pseudohalide ions: synthesis, crystal structure, and magnetic properties

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