scholarly journals The lone-pair-electron-driven phase transition and order–disorder processes in thermochromic (2-MIm)SbI4 organic–inorganic hybrid

2017 ◽  
Vol 46 (47) ◽  
pp. 16605-16614 ◽  
Author(s):  
A. Gągor ◽  
G. Banach ◽  
M. Węcławik ◽  
A. Piecha-Bisiorek ◽  
R. Jakubas
Keyword(s):  
Phase Transition ◽  
Lone Pair ◽  
Inorganic Hybrid ◽  
Color Changes ◽  
Lone Pair Electron ◽  
Hybrid Crystals ◽  
Modulated Phase

Thermochromic (2-MIm)SbI4 hybrid crystals undergo normal to modulated phase transition at 295 K which affects mainly the anionic substructure. Pronounced color changes correlate to modifications of the intra chain Sb–I and Sb⋯Sb connections.

scholarly journals Modulating molecular structures and dielectric transitions in organic–inorganic hybrid crystals

RSC Advances ◽  
2017 ◽  
Vol 7 (82) ◽  
pp. 52024-52029 ◽  
Author(s):  
Xiao-Fen Sun ◽  
Zhongxia Wang ◽  
Wei-Qiang Liao ◽  
Peng-Fei Li ◽  
Jixing Gao ◽  
...  
Keyword(s):  
Phase Transition ◽  
Transition Temperature ◽  
Phase Transition Temperature ◽  
Molecular Structures ◽  
Structural Transitions ◽  
Dielectric Characteristics ◽  
Inorganic Hybrid ◽  
Hybrid Crystals

Three hybrids display tunable structural transitions, achieving the regulation of phase transition temperature and dielectric characteristics.

Lone-Pair-Electron-Driven Ionic Displacements in a Ferroelectric Metal–Organic Hybrid

2016 ◽  
Vol 55 (20) ◽  
pp. 10337-10342 ◽  
Author(s):  
Wen-Ping Zhao ◽  
Chao Shi ◽  
Alessandro Stroppa ◽  
Domenico Di Sante ◽  
Fanica Cimpoesu ◽  
...  
Keyword(s):  
Lone Pair ◽  
Organic Hybrid ◽  
Lone Pair Electron ◽  
Metal Organic

The Ammonia-Driven Phase Transition in Bulk and Nanostructured Potassium Graphite KC24

2009 ◽  
Vol 1216 ◽  
Author(s):  
Arthur Lovell ◽  
Zeynep Kurban ◽  
Stephen M. Bennington ◽  
Gadipelli Srinivas ◽  
Neal T. Skipper ◽  
...  
Keyword(s):  
Phase Transition ◽  
Interlayer Spacing ◽  
Hydrogen Uptake ◽  
Bulk Sample ◽  
Nanostructured Material ◽  
Exfoliated Graphite ◽  
Time Resolved ◽  
Graphite Nanofibers ◽  
Modulated Phase ◽  
Low Crystalline

AbstractWe report the synthesis of nanostructured stage-2 potassium graphite, KC24, by intercalation of turbostratic graphite nanofibers produced from an electrospun polymer, and compare its properties with exfoliated graphite-based KC24. The nanostructured KC24 sample has low crystalline order and slightly increased interlayer spacing of 8.76 Å, compared with 8.65 Å in the bulk sample, indicating minimal registration of the graphite planes. Time-resolved time-of-flight neutron diffraction on both nanostructured and bulk KC24 under ammoniation is suggestive of a more homogeneous and faster pressure-modulated phase transition to the ternary ammoniated potassium-graphite in the nanostructured material. Following ammoniation, negligible hydrogen uptake is observed at 50 K.

Multisequential reversible phase transition materials with Semiconducting and fluorescence properties：(C8H18BrN)2SnBr6

2021 ◽  
Author(s):  
Yao Liu ◽  
Yu-Kong Li ◽  
Ting-Ting Ying ◽  
Yu-Hui Tan ◽  
Yun Zhi Tang ◽  
...  
Keyword(s):  
Phase Transition ◽  
Dielectric Properties ◽  
Dielectric Material ◽  
Fluorescence Properties ◽  
Metal Halides ◽  
Inorganic Hybrid ◽  
Reversible Phase Transition ◽  
Reversible Phase

Organic-inorganic hybrid metal halides with dielectric properties have attracted widespread attention due to their applications in the field of optoelectronics. Here, we successfully synthesized a novel dielectric material (C8H18BrN)2SnBr6 (1),...

scholarly journals Theoretical Study of Sigmatropic Rearrangement of Cycloprop-2-en-1-ol and its Fluorine Derivatives: Pericyclic or Pseudopericyclic Character from NICS and LLPE

2019 ◽  
Vol 31 (3) ◽  
pp. 597-601
Author(s):  
A. Sangeetha ◽  
A. Thaminum Ansari ◽  
Jebakumar Jeevanandam ◽  
S. Jayaprakash
Keyword(s):  
Oxygen Atom ◽  
Gas Phase ◽  
Energy Barrier ◽  
Fluorine Atom ◽  
Theoretical Study ◽  
Lone Pair ◽  
Sigmatropic Rearrangement ◽  
Nucleus Independent Chemical Shift ◽  
Lone Pair Electron ◽  
Rearrangement Reaction

Sigmatropic rearrangement reaction of cycloprop-2-en-1-ol and its fluorine derivatives has been studied theoretically in gas phase and its energy barrier has been calculated. Nucleus-independent chemical shift (NICS) shows sigmatropic rearrangement of cycloprop-2-en-1-ol is pericyclic in nature whereas fluorine derivatives show pseudopericyclic and pericyclic nature. Substitution of fluorine atom at ring is found to increase the energy barrier for –OH migration, while substitution at oxygen atom reduces the barrier. To know the involvement of lone pair of electrons during the reaction, lone pair electron present on oxygen atom is locked by hydrogen bonding. CR-CCSD(T)/6-311+G** levels are used to study the reactions more accurately.

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