| Title: |
Structural studies into the spin crossover behaviour of Fe(abpt) 2 (NCS) 2 polymorphs B and D |
| Authors: |
Mason HE; Musselle-Sexton JRC; Howard JAK; Probert MR; Sparkes HA |
| Source: |
New Journal of Chemistry, 21 August 2021 |
| Publisher Information: |
Royal Society of Chemistry |
| Publication Year: |
2021 |
| Collection: |
Newcastle University Library ePrints Service |
| Description: |
© The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021. The spin-crossover behaviour of [Fe(abpt)2(NCS)2] (abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole) polymorphs B and D has been studied using single crystal X-ray diffraction to monitor changes in structural features. High pressure single crystal measurements on polymorph B showed that it underwent a monoclinicP21/n(Z′ = 0.5) to triclinicP-1 (Z′ = 2 × 0.5) phase transition between 11.5 and 13.5 kbar, at which point it also starts to undergo a thermally inaccessible spin crossover. In polymorph D which also crystallises in the mononclinic space groupP21/n(Z′ = 2 × 0.5) one of the unique Fe centres undergoes a thermal spin transition. It also displays light-induced excited spin-state trapping (LIESST), and a structure has been obtained at 30 K through continuous irradiation with a 670 nm 5 mW CW laser. In addition high pressure single crystal measurements on polymorph D showed a stepped pressure induced spin transition. At ∼9.6 kbar one of the unique Fe centres had undergone a spin transition and by ∼15 kbar both of the unique Fe centres are shown to be essentially low spin, a situation that is thermally inaccessible. Crystallographic data were collected for both polymorphs using variable temperature or high pressure single crystal X-ray diffraction to allow changes in cell parameters, bond lengths and distortion parameters to be monitored for the spin crossover or phase transition. |
| Document Type: |
article in journal/newspaper |
| File Description: |
application/pdf |
| Language: |
unknown |
| Relation: |
https://eprints.ncl.ac.uk/276639; https://eprints.ncl.ac.uk/fulltext.aspx?url=276639/F9568DBA-28CE-4296-BEA1-8787873D6B96.pdf&pub_id=276639 |
| Availability: |
https://eprints.ncl.ac.uk/276639 |
| Rights: |
https://creativecommons.org/licenses/by-nc/4.0/ |
| Accession Number: |
edsbas.984DFA7C |
| Database: |
BASE |