Structure · dataset · 2026
Fluorine-for-Hydrogen Substitution: A Chemical “Butterfly Effect” on Phase Transition, Dielectric, and Magnetic Behaviors
Listed in ZivaHub and Deakin Research Online and DMU Figshare — shown once because both records carry DOI 10.1021/acs.inorgchem.6c03727.s001
Smart molecular materials exhibiting solid–solid phase transitions are increasingly attractive for advanced technological applications due to their switchable physical properties.
Description
In this work, we designed two salts, [EMPyr][Ni(mnt)<sub>2</sub>] (<b>1-H</b>, [EMPyr]<sup>+</sup> = <i>N</i>-ethyl-<i>N</i>-methylpyrrolidinium and mnt<sup>2–</sup> = maleonitriledithiolate) and [FEMPyr][Ni(mnt)<sub>2</sub>] (<b>1-F</b>, [FEMPyr]<sup>+</sup> = <i>N</i>-(2-fluoroethyl)-<i>N</i>-methylpyrrolidinium), by combining a low-rotational<b>-</b>barrier pyrrolidinium-derived cation with the planar radical anion [Ni(mnt)<sub>2</sub>]<sup>−</sup>.
These two compounds are structurally identical except for the substitution of a single hydrogen atom by fluorine on the cation. Both compounds undergo two-step solid–solid phase transitions, yielding three mutually isomorphic phases. Remarkably, despite their near-identical crystal packing, fluorination not only enhances thermal stability and raises the phase-transition temperatures but also induces markedly different dielectric and magnetic responses.
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This pronounced divergence in macroscopic properties arising from a single atomic substitution exemplifies a chemical “butterfly effect” in molecular materials. Our results demonstrate that even minimal chemical modifications can serve as a powerful and precise strategy for tuning structure–property relationships in molecular phase-transition systems.
Links
Where it is published
- DOI doi.org/10.1021/acs.inorgchem.6c03727.s001 ↗
DOI / persistent id · from zivahub uct ac za
Catalogue records · 1
- OAI-PMH record api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Af… ↗
metadata API · from zivahub uct ac za
Topics
- From keywords
- Chemistry · Chemistry · Chemistry · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Evolutionary biology · Evolutionary biology · Evolutionary biology · Life Sciences · Life Sciences · Life Sciences · Materials Science · Materials Science · Materials Science · Medicine & Health · Medicine & Health · Medicine & Health
Provenance · 3 source records, 23 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| ZivaHub | oai:figshare.com:article/34032636 | 13 d ago | JSON v1 |
| Deakin Research Online | oai:figshare.com:article/34032636 | 13 d ago | JSON v1 |
| DMU Figshare | oai:figshare.com:article/34032636 | 13 d ago | JSON v1 |
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|---|---|---|---|
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| concepts[field].anzsrc:group:3104 | mapping · zivahub uct ac za | vocabulary-mapper@1.0.0 | keywords['Evolutionary Biology'] |
| concepts[field].anzsrc:group:3104 | mapping · figshare dmu ac uk | vocabulary-mapper@1.0.0 | keywords['Evolutionary Biology'] |
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| title | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | /metadata/dc/title |