Low-spin 1,1′-diphosphametallocenates of chromium and iron
We report two anionic diphosphametallocenates, [K(2.2.2-crypt)][M(PC 4 Me 4 ) 2 ] (M = Cr, 2-Cr ; Fe, 2-Fe ). Both are low-spin ( S = ½) by EPR spectroscopy and SQUID magnetometry. This contrasts the high-spin ( S = &z.frac32;) ferrocenate, [K(2.2.2-crypt)][Fe(C 5 H 2 -1,2,4- t Bu) 2 ] ( 4-Fe )....
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| Veröffentlicht in: | Chemical communications (Cambridge, England) England), 2021-01, Vol.57 (5), p.595-598 |
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| creator | Greer, Samuel M Üngor, Ökten Beattie, Ross J Kiplinger, Jaqueline L Scott, Brian L Stein, Benjamin W Goodwin, Conrad A. P |
| description | We report two anionic diphosphametallocenates, [K(2.2.2-crypt)][M(PC
4
Me
4
)
2
] (M = Cr,
2-Cr
; Fe,
2-Fe
). Both are low-spin (
S
= ½) by EPR spectroscopy and SQUID magnetometry. This contrasts the high-spin (
S
= &z.frac32;) ferrocenate, [K(2.2.2-crypt)][Fe(C
5
H
2
-1,2,4-
t
Bu)
2
] (
4-Fe
). Quantum chemical calculations suggest this is due to significant differences in ligand field splitting of the d-orbitals which also explain structural features in the
2-M
complexes.
We report two low-spin diphosphametallocenates [K(2.2.2-crypt)][M(PC
4
Me
4
)
2
] (M = Cr, Fe) and propose structural features that allow spin-control in 3d metallocenates. |
| doi_str_mv | 10.1039/d0cc06518h |
| format | Article |
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4
Me
4
)
2
] (M = Cr,
2-Cr
; Fe,
2-Fe
). Both are low-spin (
S
= ½) by EPR spectroscopy and SQUID magnetometry. This contrasts the high-spin (
S
= &z.frac32;) ferrocenate, [K(2.2.2-crypt)][Fe(C
5
H
2
-1,2,4-
t
Bu)
2
] (
4-Fe
). Quantum chemical calculations suggest this is due to significant differences in ligand field splitting of the d-orbitals which also explain structural features in the
2-M
complexes.
We report two low-spin diphosphametallocenates [K(2.2.2-crypt)][M(PC
4
Me
4
)
2
] (M = Cr, Fe) and propose structural features that allow spin-control in 3d metallocenates.</description><identifier>ISSN: 1359-7345</identifier><identifier>EISSN: 1364-548X</identifier><identifier>DOI: 10.1039/d0cc06518h</identifier><identifier>PMID: 33338086</identifier><language>eng</language><publisher>England: Royal Society of Chemistry</publisher><subject>Chromium ; Crystallography ; Iron ; Magnetic measurement ; Quantum chemistry ; Superconducting quantum interference devices</subject><ispartof>Chemical communications (Cambridge, England), 2021-01, Vol.57 (5), p.595-598</ispartof><rights>Copyright Royal Society of Chemistry 2021</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c400t-3e2157ac6251080bf36c7c064000277894a9e3d0c0277da2b531218053159f453</citedby><cites>FETCH-LOGICAL-c400t-3e2157ac6251080bf36c7c064000277894a9e3d0c0277da2b531218053159f453</cites><orcidid>0000-0001-7071-6651 ; 0000-0003-3513-6218 ; 0000-0003-0468-5396 ; 0000-0001-8225-3252 ; 0000-0002-0366-5476 ; 0000-0002-4320-2548 ; 0000-0003-0512-7062 ; 0000000203665476 ; 0000000335136218 ; 0000000182253252 ; 0000000304685396 ; 0000000243202548 ; 0000000305127062 ; 0000000170716651</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,776,780,881,27901,27902</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/33338086$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink><backlink>$$Uhttps://www.osti.gov/biblio/1737667$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Greer, Samuel M</creatorcontrib><creatorcontrib>Üngor, Ökten</creatorcontrib><creatorcontrib>Beattie, Ross J</creatorcontrib><creatorcontrib>Kiplinger, Jaqueline L</creatorcontrib><creatorcontrib>Scott, Brian L</creatorcontrib><creatorcontrib>Stein, Benjamin W</creatorcontrib><creatorcontrib>Goodwin, Conrad A. P</creatorcontrib><title>Low-spin 1,1′-diphosphametallocenates of chromium and iron</title><title>Chemical communications (Cambridge, England)</title><addtitle>Chem Commun (Camb)</addtitle><description>We report two anionic diphosphametallocenates, [K(2.2.2-crypt)][M(PC
4
Me
4
)
2
] (M = Cr,
2-Cr
; Fe,
2-Fe
). Both are low-spin (
S
= ½) by EPR spectroscopy and SQUID magnetometry. This contrasts the high-spin (
S
= &z.frac32;) ferrocenate, [K(2.2.2-crypt)][Fe(C
5
H
2
-1,2,4-
t
Bu)
2
] (
4-Fe
). Quantum chemical calculations suggest this is due to significant differences in ligand field splitting of the d-orbitals which also explain structural features in the
2-M
complexes.
We report two low-spin diphosphametallocenates [K(2.2.2-crypt)][M(PC
4
Me
4
)
2
] (M = Cr, Fe) and propose structural features that allow spin-control in 3d metallocenates.</description><subject>Chromium</subject><subject>Crystallography</subject><subject>Iron</subject><subject>Magnetic measurement</subject><subject>Quantum chemistry</subject><subject>Superconducting quantum interference devices</subject><issn>1359-7345</issn><issn>1364-548X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNpdkc9KxDAQxoMo7rp68a4UvYhYTZqkScGL1D8rLHhR8FayaUq7tElNWsSbz-Qj-SSmu-sKzmVmmB8fM98AcIjgJYI4ucqhlDCmiJdbYIxwTEJK-Ov2UNMkZJjQEdhzbgF9IMp3wQj74JDHY3A9M--haysdoAv0_fkV5lVbGteWolGdqGsjlRadcoEpAlla01R9EwidB5U1eh_sFKJ26mCdJ-Dl_u45nYazp4fH9GYWSgJhF2IVIcqEjCOKIIfzAseS-Y39EEaM8YSIRGF_xdDlIppTjCLEoU80KQjFE3Cy0jWuqzInq07JUhqtlewyxDCLY-ahsxXUWvPWK9dlTeWkqmuhleldFhGGCI3pUu_0H7owvdX-hIFKCOGYIE-dryhpjXNWFVlrq0bYjwzBbDA-u4VpujR-6uHjtWQ_b1S-QX-d9sDRCrBObqZ_n8M_1L2EKg</recordid><startdate>20210121</startdate><enddate>20210121</enddate><creator>Greer, Samuel M</creator><creator>Üngor, Ökten</creator><creator>Beattie, Ross J</creator><creator>Kiplinger, Jaqueline L</creator><creator>Scott, Brian L</creator><creator>Stein, Benjamin W</creator><creator>Goodwin, Conrad A. P</creator><general>Royal Society of Chemistry</general><general>Royal Society of Chemistry (RSC)</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope><scope>OTOTI</scope><orcidid>https://orcid.org/0000-0001-7071-6651</orcidid><orcidid>https://orcid.org/0000-0003-3513-6218</orcidid><orcidid>https://orcid.org/0000-0003-0468-5396</orcidid><orcidid>https://orcid.org/0000-0001-8225-3252</orcidid><orcidid>https://orcid.org/0000-0002-0366-5476</orcidid><orcidid>https://orcid.org/0000-0002-4320-2548</orcidid><orcidid>https://orcid.org/0000-0003-0512-7062</orcidid><orcidid>https://orcid.org/0000000203665476</orcidid><orcidid>https://orcid.org/0000000335136218</orcidid><orcidid>https://orcid.org/0000000182253252</orcidid><orcidid>https://orcid.org/0000000304685396</orcidid><orcidid>https://orcid.org/0000000243202548</orcidid><orcidid>https://orcid.org/0000000305127062</orcidid><orcidid>https://orcid.org/0000000170716651</orcidid></search><sort><creationdate>20210121</creationdate><title>Low-spin 1,1′-diphosphametallocenates of chromium and iron</title><author>Greer, Samuel M ; Üngor, Ökten ; Beattie, Ross J ; Kiplinger, Jaqueline L ; Scott, Brian L ; Stein, Benjamin W ; Goodwin, Conrad A. P</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c400t-3e2157ac6251080bf36c7c064000277894a9e3d0c0277da2b531218053159f453</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Chromium</topic><topic>Crystallography</topic><topic>Iron</topic><topic>Magnetic measurement</topic><topic>Quantum chemistry</topic><topic>Superconducting quantum interference devices</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Greer, Samuel M</creatorcontrib><creatorcontrib>Üngor, Ökten</creatorcontrib><creatorcontrib>Beattie, Ross J</creatorcontrib><creatorcontrib>Kiplinger, Jaqueline L</creatorcontrib><creatorcontrib>Scott, Brian L</creatorcontrib><creatorcontrib>Stein, Benjamin W</creatorcontrib><creatorcontrib>Goodwin, Conrad A. P</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><collection>OSTI.GOV</collection><jtitle>Chemical communications (Cambridge, England)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Greer, Samuel M</au><au>Üngor, Ökten</au><au>Beattie, Ross J</au><au>Kiplinger, Jaqueline L</au><au>Scott, Brian L</au><au>Stein, Benjamin W</au><au>Goodwin, Conrad A. P</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Low-spin 1,1′-diphosphametallocenates of chromium and iron</atitle><jtitle>Chemical communications (Cambridge, England)</jtitle><addtitle>Chem Commun (Camb)</addtitle><date>2021-01-21</date><risdate>2021</risdate><volume>57</volume><issue>5</issue><spage>595</spage><epage>598</epage><pages>595-598</pages><issn>1359-7345</issn><eissn>1364-548X</eissn><abstract>We report two anionic diphosphametallocenates, [K(2.2.2-crypt)][M(PC
4
Me
4
)
2
] (M = Cr,
2-Cr
; Fe,
2-Fe
). Both are low-spin (
S
= ½) by EPR spectroscopy and SQUID magnetometry. This contrasts the high-spin (
S
= &z.frac32;) ferrocenate, [K(2.2.2-crypt)][Fe(C
5
H
2
-1,2,4-
t
Bu)
2
] (
4-Fe
). Quantum chemical calculations suggest this is due to significant differences in ligand field splitting of the d-orbitals which also explain structural features in the
2-M
complexes.
We report two low-spin diphosphametallocenates [K(2.2.2-crypt)][M(PC
4
Me
4
)
2
] (M = Cr, Fe) and propose structural features that allow spin-control in 3d metallocenates.</abstract><cop>England</cop><pub>Royal Society of Chemistry</pub><pmid>33338086</pmid><doi>10.1039/d0cc06518h</doi><tpages>4</tpages><orcidid>https://orcid.org/0000-0001-7071-6651</orcidid><orcidid>https://orcid.org/0000-0003-3513-6218</orcidid><orcidid>https://orcid.org/0000-0003-0468-5396</orcidid><orcidid>https://orcid.org/0000-0001-8225-3252</orcidid><orcidid>https://orcid.org/0000-0002-0366-5476</orcidid><orcidid>https://orcid.org/0000-0002-4320-2548</orcidid><orcidid>https://orcid.org/0000-0003-0512-7062</orcidid><orcidid>https://orcid.org/0000000203665476</orcidid><orcidid>https://orcid.org/0000000335136218</orcidid><orcidid>https://orcid.org/0000000182253252</orcidid><orcidid>https://orcid.org/0000000304685396</orcidid><orcidid>https://orcid.org/0000000243202548</orcidid><orcidid>https://orcid.org/0000000305127062</orcidid><orcidid>https://orcid.org/0000000170716651</orcidid><oa>free_for_read</oa></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 1359-7345 |
| ispartof | Chemical communications (Cambridge, England), 2021-01, Vol.57 (5), p.595-598 |
| issn | 1359-7345 1364-548X |
| language | eng |
| recordid | cdi_crossref_primary_10_1039_D0CC06518H |
| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Chromium Crystallography Iron Magnetic measurement Quantum chemistry Superconducting quantum interference devices |
| title | Low-spin 1,1′-diphosphametallocenates of chromium and iron |
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