Synthesis, structure, and magnetic properties of the iron(iii) iodide complex with the 3,5-di-tert-butylcatecholate ligand
The reaction of iron( ii ) iodide with 3,5-di- tert -butyl- o -benzoquinone (3,5-DBBQ) in anhydrous diethyl ether afforded the heteroleptic binuclear complex [Fe 2 I 2 (3,5-DBCat) 2 (Et 2 O) 2 ] ( 1 ) (3,5-DBCat is 3,5-di- tert -butylcatecholate). The crystal structure of the newly synthesized compo...
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| Veröffentlicht in: | Russian chemical bulletin 2022-07, Vol.71 (7), p.1385-1393 |
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| creator | Yambulatov, D. S. Nikolaevskii, S. A. Babeshkin, K. A. Efimov, N. N. Voronina, J. K. Starikova, A. A. Goloveshkin, A. S. Kiskin, M. A. Eremenko, I. L. |
| description | The reaction of iron(
ii
) iodide with 3,5-di-
tert
-butyl-
o
-benzoquinone (3,5-DBBQ) in anhydrous diethyl ether afforded the heteroleptic binuclear complex [Fe
2
I
2
(3,5-DBCat)
2
(Et
2
O)
2
] (
1
) (3,5-DBCat is 3,5-di-
tert
-butylcatecholate). The crystal structure of the newly synthesized compound
1
was determined by single-crystal X-ray diffraction analysis, and its phase purity was confirmed by powder X-ray diffraction. Quantum chemical calculations indicate that the iron(III) ions are in the high-spin state and the redox-active ligand is in the dianionic catecholate form. Magnetochemical measurements of
1
in the temperature range of 2–300 K revealed intramolecular antiferromagnetic exchange interactions between Fe
III
ions, which is consistent with quantum chemical calculations. |
| doi_str_mv | 10.1007/s11172-022-3544-9 |
| format | Article |
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ii
) iodide with 3,5-di-
tert
-butyl-
o
-benzoquinone (3,5-DBBQ) in anhydrous diethyl ether afforded the heteroleptic binuclear complex [Fe
2
I
2
(3,5-DBCat)
2
(Et
2
O)
2
] (
1
) (3,5-DBCat is 3,5-di-
tert
-butylcatecholate). The crystal structure of the newly synthesized compound
1
was determined by single-crystal X-ray diffraction analysis, and its phase purity was confirmed by powder X-ray diffraction. Quantum chemical calculations indicate that the iron(III) ions are in the high-spin state and the redox-active ligand is in the dianionic catecholate form. Magnetochemical measurements of
1
in the temperature range of 2–300 K revealed intramolecular antiferromagnetic exchange interactions between Fe
III
ions, which is consistent with quantum chemical calculations.</description><identifier>ISSN: 1066-5285</identifier><identifier>EISSN: 1573-9171</identifier><identifier>DOI: 10.1007/s11172-022-3544-9</identifier><language>eng</language><publisher>New York: Springer US</publisher><subject>Antiferromagnetism ; Benzoquinone ; Chemistry ; Chemistry and Materials Science ; Chemistry/Food Science ; Crystal structure ; Diethyl ether ; Full Articles ; Inorganic Chemistry ; Iron ; Ligands ; Magnetic properties ; Mathematical analysis ; Organic Chemistry ; Quantum chemistry ; Single crystals ; X ray powder diffraction ; X-ray diffraction</subject><ispartof>Russian chemical bulletin, 2022-07, Vol.71 (7), p.1385-1393</ispartof><rights>Springer Science+Business Media LLC 2022</rights><rights>Springer Science+Business Media LLC 2022.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c316t-735dd3fea2a53811c663a50b78b5f2279102310377d1e9d724b8fd9afec752903</citedby><cites>FETCH-LOGICAL-c316t-735dd3fea2a53811c663a50b78b5f2279102310377d1e9d724b8fd9afec752903</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s11172-022-3544-9$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s11172-022-3544-9$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,776,780,27903,27904,41467,42536,51298</link.rule.ids></links><search><creatorcontrib>Yambulatov, D. S.</creatorcontrib><creatorcontrib>Nikolaevskii, S. A.</creatorcontrib><creatorcontrib>Babeshkin, K. A.</creatorcontrib><creatorcontrib>Efimov, N. N.</creatorcontrib><creatorcontrib>Voronina, J. K.</creatorcontrib><creatorcontrib>Starikova, A. A.</creatorcontrib><creatorcontrib>Goloveshkin, A. S.</creatorcontrib><creatorcontrib>Kiskin, M. A.</creatorcontrib><creatorcontrib>Eremenko, I. L.</creatorcontrib><title>Synthesis, structure, and magnetic properties of the iron(iii) iodide complex with the 3,5-di-tert-butylcatecholate ligand</title><title>Russian chemical bulletin</title><addtitle>Russ Chem Bull</addtitle><description>The reaction of iron(
ii
) iodide with 3,5-di-
tert
-butyl-
o
-benzoquinone (3,5-DBBQ) in anhydrous diethyl ether afforded the heteroleptic binuclear complex [Fe
2
I
2
(3,5-DBCat)
2
(Et
2
O)
2
] (
1
) (3,5-DBCat is 3,5-di-
tert
-butylcatecholate). The crystal structure of the newly synthesized compound
1
was determined by single-crystal X-ray diffraction analysis, and its phase purity was confirmed by powder X-ray diffraction. Quantum chemical calculations indicate that the iron(III) ions are in the high-spin state and the redox-active ligand is in the dianionic catecholate form. Magnetochemical measurements of
1
in the temperature range of 2–300 K revealed intramolecular antiferromagnetic exchange interactions between Fe
III
ions, which is consistent with quantum chemical calculations.</description><subject>Antiferromagnetism</subject><subject>Benzoquinone</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Chemistry/Food Science</subject><subject>Crystal structure</subject><subject>Diethyl ether</subject><subject>Full Articles</subject><subject>Inorganic Chemistry</subject><subject>Iron</subject><subject>Ligands</subject><subject>Magnetic properties</subject><subject>Mathematical analysis</subject><subject>Organic Chemistry</subject><subject>Quantum chemistry</subject><subject>Single crystals</subject><subject>X ray powder diffraction</subject><subject>X-ray diffraction</subject><issn>1066-5285</issn><issn>1573-9171</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNp1kE1LAzEYhIMoWKs_wFvAi0Kj-Wg2u0cpfkHBg3oO2STbpmw3a5JF6683dQVPnuY9PDPDOwCcE3xNMBY3kRAiKMKUIsbnc1QdgAnhgqGKCHKYb1wUiNOSH4OTGDcYY1qW5QR8vey6tLbRxRmMKQw6DcHOoOoM3KpVZ5PTsA--tyE5G6FvYKahC767dM5dQeeNMxZqv-1b-wk_XFr_EGzGkXEoZR-qh7RrtUpWr32bBbZulQtOwVGj2mjPfnUK3u7vXhePaPn88LS4XSLNSJGQYNwY1lhFFWclIboomOK4FmXNG0pFRTBlBDMhDLGVEXRel42pVGO14LTCbAouxtz8x_tgY5IbP4QuV0oqMGacFQXNFBkpHXyMwTayD26rwk4SLPcTy3FimSeW-4lllT109MTMdisb_pL_N30DUP9-5A</recordid><startdate>20220701</startdate><enddate>20220701</enddate><creator>Yambulatov, D. S.</creator><creator>Nikolaevskii, S. A.</creator><creator>Babeshkin, K. A.</creator><creator>Efimov, N. N.</creator><creator>Voronina, J. K.</creator><creator>Starikova, A. A.</creator><creator>Goloveshkin, A. S.</creator><creator>Kiskin, M. A.</creator><creator>Eremenko, I. L.</creator><general>Springer US</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20220701</creationdate><title>Synthesis, structure, and magnetic properties of the iron(iii) iodide complex with the 3,5-di-tert-butylcatecholate ligand</title><author>Yambulatov, D. S. ; Nikolaevskii, S. A. ; Babeshkin, K. A. ; Efimov, N. N. ; Voronina, J. K. ; Starikova, A. A. ; Goloveshkin, A. S. ; Kiskin, M. A. ; Eremenko, I. L.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c316t-735dd3fea2a53811c663a50b78b5f2279102310377d1e9d724b8fd9afec752903</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Antiferromagnetism</topic><topic>Benzoquinone</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Chemistry/Food Science</topic><topic>Crystal structure</topic><topic>Diethyl ether</topic><topic>Full Articles</topic><topic>Inorganic Chemistry</topic><topic>Iron</topic><topic>Ligands</topic><topic>Magnetic properties</topic><topic>Mathematical analysis</topic><topic>Organic Chemistry</topic><topic>Quantum chemistry</topic><topic>Single crystals</topic><topic>X ray powder diffraction</topic><topic>X-ray diffraction</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Yambulatov, D. S.</creatorcontrib><creatorcontrib>Nikolaevskii, S. A.</creatorcontrib><creatorcontrib>Babeshkin, K. A.</creatorcontrib><creatorcontrib>Efimov, N. N.</creatorcontrib><creatorcontrib>Voronina, J. K.</creatorcontrib><creatorcontrib>Starikova, A. A.</creatorcontrib><creatorcontrib>Goloveshkin, A. S.</creatorcontrib><creatorcontrib>Kiskin, M. A.</creatorcontrib><creatorcontrib>Eremenko, I. L.</creatorcontrib><collection>CrossRef</collection><jtitle>Russian chemical bulletin</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Yambulatov, D. S.</au><au>Nikolaevskii, S. A.</au><au>Babeshkin, K. A.</au><au>Efimov, N. N.</au><au>Voronina, J. K.</au><au>Starikova, A. A.</au><au>Goloveshkin, A. S.</au><au>Kiskin, M. A.</au><au>Eremenko, I. L.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Synthesis, structure, and magnetic properties of the iron(iii) iodide complex with the 3,5-di-tert-butylcatecholate ligand</atitle><jtitle>Russian chemical bulletin</jtitle><stitle>Russ Chem Bull</stitle><date>2022-07-01</date><risdate>2022</risdate><volume>71</volume><issue>7</issue><spage>1385</spage><epage>1393</epage><pages>1385-1393</pages><issn>1066-5285</issn><eissn>1573-9171</eissn><abstract>The reaction of iron(
ii
) iodide with 3,5-di-
tert
-butyl-
o
-benzoquinone (3,5-DBBQ) in anhydrous diethyl ether afforded the heteroleptic binuclear complex [Fe
2
I
2
(3,5-DBCat)
2
(Et
2
O)
2
] (
1
) (3,5-DBCat is 3,5-di-
tert
-butylcatecholate). The crystal structure of the newly synthesized compound
1
was determined by single-crystal X-ray diffraction analysis, and its phase purity was confirmed by powder X-ray diffraction. Quantum chemical calculations indicate that the iron(III) ions are in the high-spin state and the redox-active ligand is in the dianionic catecholate form. Magnetochemical measurements of
1
in the temperature range of 2–300 K revealed intramolecular antiferromagnetic exchange interactions between Fe
III
ions, which is consistent with quantum chemical calculations.</abstract><cop>New York</cop><pub>Springer US</pub><doi>10.1007/s11172-022-3544-9</doi><tpages>9</tpages></addata></record> |
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| source | Springer Nature - Complete Springer Journals |
| subjects | Antiferromagnetism Benzoquinone Chemistry Chemistry and Materials Science Chemistry/Food Science Crystal structure Diethyl ether Full Articles Inorganic Chemistry Iron Ligands Magnetic properties Mathematical analysis Organic Chemistry Quantum chemistry Single crystals X ray powder diffraction X-ray diffraction |
| title | Synthesis, structure, and magnetic properties of the iron(iii) iodide complex with the 3,5-di-tert-butylcatecholate ligand |
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