View in EDS

Structural control of dithiazolyl radicals: Case studies on 3′- and 4′-cyano-benzo-1,3,2-dithiazolyl, NCC6H3S2N

Saved in:
Bibliographic Details
Title: Structural control of dithiazolyl radicals: Case studies on 3′- and 4′-cyano-benzo-1,3,2-dithiazolyl, NCC6H3S2N
Authors: Alberola, Antonio1, Burley, Jonathan1, Collis, Rebecca J.1, Less, Robert J.1, Rawson, Jeremy M. jmr31@cus.cam.ac.uk
Source: Journal of Organometallic Chemistry. Jun2007, Vol. 692 Issue 13, p2750-2760. 11p.
Subjects: Radicals (Chemistry), Chemical structure, Spectrum analysis, Electronic structure
Abstract: Abstract: Dithiazolyl radicals with π-stacking motifs have attracted particular interest because of their ability to exhibit spin-switching between diamagnetic distorted π-stacks and paramagnetic regular π-stacked structures through a solid state phase transition. Previous studies indicate that inclusion of electronegative heteroatoms into the backbone favours lamellar structures. This methodology has been extended to the synthesis and characterisation of the title compound, 4′-cyanobenzo-1,3,2-dithiazolyl (4-NCBDTA). Its electronic structure is probed through DFT calculations, cyclic voltammetry and EPR spectroscopy and its crystal structure determined by X-ray powder diffraction at room temperature. Variable temperature SQUID magnetometry reveals that 4-NCBDTA undergoes two phase transitions, each exhibiting bistability; a high temperature phase transition occurs at room temperature (T C↓ =291K, T C↑ =304K, ΔT =13K); whilst the low temperature phase transition occurs below liquid nitrogen temperatures (T C↓ =37K, T C↑ =28K;ΔT =9K). [Copyright &y& Elsevier]
Copyright of Journal of Organometallic Chemistry is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
FullText Text:
  Availability: 0
Header DbId: egs
DbLabel: Engineering Source
An: 25035630
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: Structural control of dithiazolyl radicals: Case studies on 3′- and 4′-cyano-benzo-1,3,2-dithiazolyl, NCC<subscript>6</subscript>H<subscript>3</subscript>S<subscript>2</subscript>N
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AR" term="%22Alberola%2C+Antonio%22">Alberola, Antonio</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Burley%2C+Jonathan%22">Burley, Jonathan</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Collis%2C+Rebecca+J%2E%22">Collis, Rebecca J.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Less%2C+Robert+J%2E%22">Less, Robert J.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Rawson%2C+Jeremy+M%2E%22">Rawson, Jeremy M.</searchLink><i> jmr31@cus.cam.ac.uk</i>
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22Journal+of+Organometallic+Chemistry%22">Journal of Organometallic Chemistry</searchLink>. Jun2007, Vol. 692 Issue 13, p2750-2760. 11p.
– Name: Subject
  Label: Subjects
  Group: Su
  Data: <searchLink fieldCode="DE" term="%22Radicals+%28Chemistry%29%22">Radicals (Chemistry)</searchLink><br /><searchLink fieldCode="DE" term="%22Chemical+structure%22">Chemical structure</searchLink><br /><searchLink fieldCode="DE" term="%22Spectrum+analysis%22">Spectrum analysis</searchLink><br /><searchLink fieldCode="DE" term="%22Electronic+structure%22">Electronic structure</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Abstract: Dithiazolyl radicals with π-stacking motifs have attracted particular interest because of their ability to exhibit spin-switching between diamagnetic distorted π-stacks and paramagnetic regular π-stacked structures through a solid state phase transition. Previous studies indicate that inclusion of electronegative heteroatoms into the backbone favours lamellar structures. This methodology has been extended to the synthesis and characterisation of the title compound, 4′-cyanobenzo-1,3,2-dithiazolyl (4-NCBDTA). Its electronic structure is probed through DFT calculations, cyclic voltammetry and EPR spectroscopy and its crystal structure determined by X-ray powder diffraction at room temperature. Variable temperature SQUID magnetometry reveals that 4-NCBDTA undergoes two phase transitions, each exhibiting bistability; a high temperature phase transition occurs at room temperature (T C↓ =291K, T C↑ =304K, ΔT =13K); whilst the low temperature phase transition occurs below liquid nitrogen temperatures (T C↓ =37K, T C↑ =28K;ΔT =9K). [Copyright &y& Elsevier]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Organometallic Chemistry is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=25035630
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1016/j.jorganchem.2006.12.020
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 11
        StartPage: 2750
    Subjects:
      – SubjectFull: Radicals (Chemistry)
        Type: general
      – SubjectFull: Chemical structure
        Type: general
      – SubjectFull: Spectrum analysis
        Type: general
      – SubjectFull: Electronic structure
        Type: general
    Titles:
      – TitleFull: Structural control of dithiazolyl radicals: Case studies on 3′- and 4′-cyano-benzo-1,3,2-dithiazolyl, NCC6H3S2N
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Alberola, Antonio
      – PersonEntity:
          Name:
            NameFull: Burley, Jonathan
      – PersonEntity:
          Name:
            NameFull: Collis, Rebecca J.
      – PersonEntity:
          Name:
            NameFull: Less, Robert J.
      – PersonEntity:
          Name:
            NameFull: Rawson, Jeremy M.
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 01
              M: 06
              Text: Jun2007
              Type: published
              Y: 2007
          Identifiers:
            – Type: issn-print
              Value: 0022328X
          Numbering:
            – Type: volume
              Value: 692
            – Type: issue
              Value: 13
          Titles:
            – TitleFull: Journal of Organometallic Chemistry
              Type: main
ResultId 1