Synapse
⌘+K
Synapse
PulseExploreClubsResearchersJournals
Instagram
HomeClubsExplore
June 13, 2026Inorganic Chemistry

Fluorine-Induced Rigidity and Entropy Effects in Mixed-Halide 2,2-Difluoroethylammonium Cadmium Hybrids

View Full Paper
Ask AI
Bookmark
Share

Authors

MPMaciej PtakDKDorota A. KowalskaSSSzymon Smółka

Discussion

Loading...

Member takes

Overview

Randomized trial shows the effects of fluorination on structural disorder and optical properties in cadmium hybrids, highlighting important implications for material design.

Key Points

  • To understand how fluorination and halide mixing affect structural disorder and entropic changes in 2,2-difluoroethylammonium cadmium hybrids.
  • Conducted structural single-crystal X-ray diffraction studies to assess positional disorder.
  • Performed differential scanning calorimetry to analyze entropy changes related to phase transitions.
  • Utilized IR spectroscopy and DFT calculations to evaluate intermolecular interactions and structural changes.
  • Fluorination increases intermolecular F···F interactions, resulting in enhanced rigidity.
  • Significant entropy changes during phase transitions indicate complex ordering mechanisms (including hydrogen bond reorganization).
  • Optical properties are tunable based on halide substitution and structural rigidity.

Cite This Study

Ptak et al. (2026) studied this question.

synapsesocial.com/papers/6a2cf36efaef96ed7f055e4bhttps://doi.org/10.1021/acs.inorgchem.6c01320
View Full Paper
Ask AI
Bookmark
Share

Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Density-functional thermochemistry. IV. A new dynamical correlation functional and implications for exact-exchange mixing1996 · 2,767 citations
  2. 2Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions1980 · 17,851 citations
  3. 3A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn2024 · 4,989 citations
  4. 4Halogen Bonding in Supramolecular Chemistry2015 · 1,343 citations
  5. 5New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures2020 · 57 citations