Loading…
High-Field EPR Investigation and Detailed Modeling of the Magnetoanisotropy Tensor of an Unusual Mixed-Valent Mn2IVMn2IIIMnII Cluster
Multifrequency (128 and 256 GHz) high-field electron paramagnetic resonance measurements up to 14.5 T over the temperature range 8.0 to 30.0 K were performed on powder samples of a recently reported salt of the cluster cation [Mn 5 O 4 (phth) 3 (phthH)(bpy) 4 ] + ( 1 ; Mn 2 IV Mn 2 III Mn II ). Spec...
Saved in:
| Published in: | Applied magnetic resonance 2023, Vol.54 (1), p.77-91 |
|---|---|
| Main Authors: | , , , |
| Format: | Article |
| Language: | English |
| Subjects: | |
| Online Access: | Get full text |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| cited_by | |
|---|---|
| cites | |
| container_end_page | 91 |
| container_issue | 1 |
| container_start_page | 77 |
| container_title | Applied magnetic resonance |
| container_volume | 54 |
| creator | Wang, Xiaoling Hale, Ashlyn R. Hill, Stephen Christou, George |
| description | Multifrequency (128 and 256 GHz) high-field electron paramagnetic resonance measurements up to 14.5 T over the temperature range 8.0 to 30.0 K were performed on powder samples of a recently reported salt of the cluster cation [Mn
5
O
4
(phth)
3
(phthH)(bpy)
4
]
+
(
1
;
Mn
2
IV
Mn
2
III
Mn
II
). Spectral simulations were performed to quantify the zero-field splitting parameters of
1
, further supporting the previously assigned
S
=
7
/
2
ground state.
1
possesses a highly biaxial zero-field splitting tensor (
E/D
= 0.227) with overall easy-plane anisotropy (
D
> 0) arising from the near-perpendicular angle between the Jahn–Teller axes of the two Mn
III
that contribute a majority of the magnetic anisotropy. A microscopic model has been developed that relates the sign of
D
and the degree of ortho-rhombicity,
E/D
, to the angle between the two Jahn–Teller axes. The additional fine structure and peak-splitting features not represented by the simulations were attributed to population of excited states or the weak intermolecular interactions previously observed in the crystal structure. |
| doi_str_mv | 10.1007/s00723-022-01517-4 |
| format | article |
| fullrecord | <record><control><sourceid>proquest_sprin</sourceid><recordid>TN_cdi_proquest_journals_2917928888</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2917928888</sourcerecordid><originalsourceid>FETCH-LOGICAL-p157t-d85709aed3d5147343ec4aec8921516a16532df54cef7082250ecb5c781cfff63</originalsourceid><addsrcrecordid>eNpFkE1OwzAQRi0EEqVwAVaWWBv8E8fJEpVCIzUCobbbyMSTNlVkh9hBcADujUuRmMXMYp5m9D2Erhm9ZZSqOx8bF4RyTiiTTJHkBE1YygRRkqpTNKG5UCQXiTpHF97vaaQypiboe9Fud-Sxhc7g-csrLuwH-NBudWidxdoa_ABBtx0YXDoDXWu32DU47ACXemshOG1b78Lg-i-8AuvdcNhri9d29KPucNl-giEb3YENuLS82BxaUZS2KPCsG32A4RKdNbrzcPU3p2j9OF_NFmT5_FTM7pekZ1IFYjKpaK7BCCNZokQioE401FnOY-hUs1QKbhqZ1NAomnEuKdRvslYZq5umScUU3Rzv9oN7H2PQau_GwcaXFc-ZynkWK1LiSPl-iHlh-KcYrQ6-q6PvKvqufn1XifgBO3RzXA</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2917928888</pqid></control><display><type>article</type><title>High-Field EPR Investigation and Detailed Modeling of the Magnetoanisotropy Tensor of an Unusual Mixed-Valent Mn2IVMn2IIIMnII Cluster</title><source>Springer Link</source><creator>Wang, Xiaoling ; Hale, Ashlyn R. ; Hill, Stephen ; Christou, George</creator><creatorcontrib>Wang, Xiaoling ; Hale, Ashlyn R. ; Hill, Stephen ; Christou, George</creatorcontrib><description>Multifrequency (128 and 256 GHz) high-field electron paramagnetic resonance measurements up to 14.5 T over the temperature range 8.0 to 30.0 K were performed on powder samples of a recently reported salt of the cluster cation [Mn
5
O
4
(phth)
3
(phthH)(bpy)
4
]
+
(
1
;
Mn
2
IV
Mn
2
III
Mn
II
). Spectral simulations were performed to quantify the zero-field splitting parameters of
1
, further supporting the previously assigned
S
=
7
/
2
ground state.
1
possesses a highly biaxial zero-field splitting tensor (
E/D
= 0.227) with overall easy-plane anisotropy (
D
> 0) arising from the near-perpendicular angle between the Jahn–Teller axes of the two Mn
III
that contribute a majority of the magnetic anisotropy. A microscopic model has been developed that relates the sign of
D
and the degree of ortho-rhombicity,
E/D
, to the angle between the two Jahn–Teller axes. The additional fine structure and peak-splitting features not represented by the simulations were attributed to population of excited states or the weak intermolecular interactions previously observed in the crystal structure.</description><identifier>ISSN: 0937-9347</identifier><identifier>EISSN: 1613-7507</identifier><identifier>DOI: 10.1007/s00723-022-01517-4</identifier><language>eng</language><publisher>Vienna: Springer Vienna</publisher><subject>Atoms and Molecules in Strong Fields ; Clusters ; Crystal structure ; Electron paramagnetic resonance ; Electrons ; Fine structure ; Jahn-Teller effect ; Laser Matter Interaction ; Magnetic anisotropy ; Magnetic fields ; Organic Chemistry ; Original Paper ; Oxidation ; Physical Chemistry ; Physics ; Physics and Astronomy ; Simulation ; Solid State Physics ; Spectroscopy/Spectrometry ; Splitting ; Temperature ; Tensors</subject><ispartof>Applied magnetic resonance, 2023, Vol.54 (1), p.77-91</ispartof><rights>The Author(s), under exclusive licence to Springer-Verlag GmbH Austria, part of Springer Nature 2022. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><orcidid>0000-0001-5120-4693 ; 0000-0001-5923-5523 ; 0000-0001-6742-3620 ; 0000-0002-8718-0408</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27901,27902</link.rule.ids></links><search><creatorcontrib>Wang, Xiaoling</creatorcontrib><creatorcontrib>Hale, Ashlyn R.</creatorcontrib><creatorcontrib>Hill, Stephen</creatorcontrib><creatorcontrib>Christou, George</creatorcontrib><title>High-Field EPR Investigation and Detailed Modeling of the Magnetoanisotropy Tensor of an Unusual Mixed-Valent Mn2IVMn2IIIMnII Cluster</title><title>Applied magnetic resonance</title><addtitle>Appl Magn Reson</addtitle><description>Multifrequency (128 and 256 GHz) high-field electron paramagnetic resonance measurements up to 14.5 T over the temperature range 8.0 to 30.0 K were performed on powder samples of a recently reported salt of the cluster cation [Mn
5
O
4
(phth)
3
(phthH)(bpy)
4
]
+
(
1
;
Mn
2
IV
Mn
2
III
Mn
II
). Spectral simulations were performed to quantify the zero-field splitting parameters of
1
, further supporting the previously assigned
S
=
7
/
2
ground state.
1
possesses a highly biaxial zero-field splitting tensor (
E/D
= 0.227) with overall easy-plane anisotropy (
D
> 0) arising from the near-perpendicular angle between the Jahn–Teller axes of the two Mn
III
that contribute a majority of the magnetic anisotropy. A microscopic model has been developed that relates the sign of
D
and the degree of ortho-rhombicity,
E/D
, to the angle between the two Jahn–Teller axes. The additional fine structure and peak-splitting features not represented by the simulations were attributed to population of excited states or the weak intermolecular interactions previously observed in the crystal structure.</description><subject>Atoms and Molecules in Strong Fields</subject><subject>Clusters</subject><subject>Crystal structure</subject><subject>Electron paramagnetic resonance</subject><subject>Electrons</subject><subject>Fine structure</subject><subject>Jahn-Teller effect</subject><subject>Laser Matter Interaction</subject><subject>Magnetic anisotropy</subject><subject>Magnetic fields</subject><subject>Organic Chemistry</subject><subject>Original Paper</subject><subject>Oxidation</subject><subject>Physical Chemistry</subject><subject>Physics</subject><subject>Physics and Astronomy</subject><subject>Simulation</subject><subject>Solid State Physics</subject><subject>Spectroscopy/Spectrometry</subject><subject>Splitting</subject><subject>Temperature</subject><subject>Tensors</subject><issn>0937-9347</issn><issn>1613-7507</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNpFkE1OwzAQRi0EEqVwAVaWWBv8E8fJEpVCIzUCobbbyMSTNlVkh9hBcADujUuRmMXMYp5m9D2Erhm9ZZSqOx8bF4RyTiiTTJHkBE1YygRRkqpTNKG5UCQXiTpHF97vaaQypiboe9Fud-Sxhc7g-csrLuwH-NBudWidxdoa_ABBtx0YXDoDXWu32DU47ACXemshOG1b78Lg-i-8AuvdcNhri9d29KPucNl-giEb3YENuLS82BxaUZS2KPCsG32A4RKdNbrzcPU3p2j9OF_NFmT5_FTM7pekZ1IFYjKpaK7BCCNZokQioE401FnOY-hUs1QKbhqZ1NAomnEuKdRvslYZq5umScUU3Rzv9oN7H2PQau_GwcaXFc-ZynkWK1LiSPl-iHlh-KcYrQ6-q6PvKvqufn1XifgBO3RzXA</recordid><startdate>2023</startdate><enddate>2023</enddate><creator>Wang, Xiaoling</creator><creator>Hale, Ashlyn R.</creator><creator>Hill, Stephen</creator><creator>Christou, George</creator><general>Springer Vienna</general><general>Springer Nature B.V</general><scope>3V.</scope><scope>7XB</scope><scope>88I</scope><scope>8FE</scope><scope>8FG</scope><scope>8FK</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>ARAPS</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>D1I</scope><scope>DWQXO</scope><scope>GNUQQ</scope><scope>HCIFZ</scope><scope>KB.</scope><scope>M2P</scope><scope>P5Z</scope><scope>P62</scope><scope>PDBOC</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>Q9U</scope><orcidid>https://orcid.org/0000-0001-5120-4693</orcidid><orcidid>https://orcid.org/0000-0001-5923-5523</orcidid><orcidid>https://orcid.org/0000-0001-6742-3620</orcidid><orcidid>https://orcid.org/0000-0002-8718-0408</orcidid></search><sort><creationdate>2023</creationdate><title>High-Field EPR Investigation and Detailed Modeling of the Magnetoanisotropy Tensor of an Unusual Mixed-Valent Mn2IVMn2IIIMnII Cluster</title><author>Wang, Xiaoling ; Hale, Ashlyn R. ; Hill, Stephen ; Christou, George</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-p157t-d85709aed3d5147343ec4aec8921516a16532df54cef7082250ecb5c781cfff63</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Atoms and Molecules in Strong Fields</topic><topic>Clusters</topic><topic>Crystal structure</topic><topic>Electron paramagnetic resonance</topic><topic>Electrons</topic><topic>Fine structure</topic><topic>Jahn-Teller effect</topic><topic>Laser Matter Interaction</topic><topic>Magnetic anisotropy</topic><topic>Magnetic fields</topic><topic>Organic Chemistry</topic><topic>Original Paper</topic><topic>Oxidation</topic><topic>Physical Chemistry</topic><topic>Physics</topic><topic>Physics and Astronomy</topic><topic>Simulation</topic><topic>Solid State Physics</topic><topic>Spectroscopy/Spectrometry</topic><topic>Splitting</topic><topic>Temperature</topic><topic>Tensors</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Wang, Xiaoling</creatorcontrib><creatorcontrib>Hale, Ashlyn R.</creatorcontrib><creatorcontrib>Hill, Stephen</creatorcontrib><creatorcontrib>Christou, George</creatorcontrib><collection>ProQuest Central (Corporate)</collection><collection>ProQuest Central (purchase pre-March 2016)</collection><collection>Science Database (Alumni Edition)</collection><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>ProQuest Central (Alumni) (purchase pre-March 2016)</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest Central (Alumni)</collection><collection>ProQuest Central</collection><collection>Advanced Technologies & Aerospace Collection</collection><collection>ProQuest Central Essentials</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Materials Science Collection</collection><collection>ProQuest Central</collection><collection>ProQuest Central Student</collection><collection>SciTech Premium Collection</collection><collection>Materials Science Database</collection><collection>ProQuest Science Journals</collection><collection>ProQuest advanced technologies & aerospace journals</collection><collection>ProQuest Advanced Technologies & Aerospace Collection</collection><collection>Materials Science Collection</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central Basic</collection><jtitle>Applied magnetic resonance</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Wang, Xiaoling</au><au>Hale, Ashlyn R.</au><au>Hill, Stephen</au><au>Christou, George</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>High-Field EPR Investigation and Detailed Modeling of the Magnetoanisotropy Tensor of an Unusual Mixed-Valent Mn2IVMn2IIIMnII Cluster</atitle><jtitle>Applied magnetic resonance</jtitle><stitle>Appl Magn Reson</stitle><date>2023</date><risdate>2023</risdate><volume>54</volume><issue>1</issue><spage>77</spage><epage>91</epage><pages>77-91</pages><issn>0937-9347</issn><eissn>1613-7507</eissn><abstract>Multifrequency (128 and 256 GHz) high-field electron paramagnetic resonance measurements up to 14.5 T over the temperature range 8.0 to 30.0 K were performed on powder samples of a recently reported salt of the cluster cation [Mn
5
O
4
(phth)
3
(phthH)(bpy)
4
]
+
(
1
;
Mn
2
IV
Mn
2
III
Mn
II
). Spectral simulations were performed to quantify the zero-field splitting parameters of
1
, further supporting the previously assigned
S
=
7
/
2
ground state.
1
possesses a highly biaxial zero-field splitting tensor (
E/D
= 0.227) with overall easy-plane anisotropy (
D
> 0) arising from the near-perpendicular angle between the Jahn–Teller axes of the two Mn
III
that contribute a majority of the magnetic anisotropy. A microscopic model has been developed that relates the sign of
D
and the degree of ortho-rhombicity,
E/D
, to the angle between the two Jahn–Teller axes. The additional fine structure and peak-splitting features not represented by the simulations were attributed to population of excited states or the weak intermolecular interactions previously observed in the crystal structure.</abstract><cop>Vienna</cop><pub>Springer Vienna</pub><doi>10.1007/s00723-022-01517-4</doi><tpages>15</tpages><orcidid>https://orcid.org/0000-0001-5120-4693</orcidid><orcidid>https://orcid.org/0000-0001-5923-5523</orcidid><orcidid>https://orcid.org/0000-0001-6742-3620</orcidid><orcidid>https://orcid.org/0000-0002-8718-0408</orcidid></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0937-9347 |
| ispartof | Applied magnetic resonance, 2023, Vol.54 (1), p.77-91 |
| issn | 0937-9347 1613-7507 |
| language | eng |
| recordid | cdi_proquest_journals_2917928888 |
| source | Springer Link |
| subjects | Atoms and Molecules in Strong Fields Clusters Crystal structure Electron paramagnetic resonance Electrons Fine structure Jahn-Teller effect Laser Matter Interaction Magnetic anisotropy Magnetic fields Organic Chemistry Original Paper Oxidation Physical Chemistry Physics Physics and Astronomy Simulation Solid State Physics Spectroscopy/Spectrometry Splitting Temperature Tensors |
| title | High-Field EPR Investigation and Detailed Modeling of the Magnetoanisotropy Tensor of an Unusual Mixed-Valent Mn2IVMn2IIIMnII Cluster |
| url | http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-02-02T05%3A45%3A35IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_sprin&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=High-Field%20EPR%20Investigation%20and%20Detailed%20Modeling%20of%20the%20Magnetoanisotropy%20Tensor%20of%20an%20Unusual%20Mixed-Valent%20Mn2IVMn2IIIMnII%20Cluster&rft.jtitle=Applied%20magnetic%20resonance&rft.au=Wang,%20Xiaoling&rft.date=2023&rft.volume=54&rft.issue=1&rft.spage=77&rft.epage=91&rft.pages=77-91&rft.issn=0937-9347&rft.eissn=1613-7507&rft_id=info:doi/10.1007/s00723-022-01517-4&rft_dat=%3Cproquest_sprin%3E2917928888%3C/proquest_sprin%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-p157t-d85709aed3d5147343ec4aec8921516a16532df54cef7082250ecb5c781cfff63%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_pqid=2917928888&rft_id=info:pmid/&rfr_iscdi=true |