Crystal-to-crystal transformation in solid-state electrochemical doping of Cl− ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron–electron correlations in the 1D half-filled system

CrystEngComm ◽  
2014 ◽  
Vol 16 (39) ◽  
pp. 9266-9272 ◽  
Author(s):  
Yasuhito Miyoshi ◽  
Hirofumi Yoshikawa ◽  
Kunio Awaga
Keyword(s):  
Solid State ◽  
Electron Correlations ◽  
Neutral Radical ◽  
Electrochemical Doping ◽  
Crystal Transformation ◽  
System P

Solid-state electrochemical doping of Cl− ions to nanoporous LiPc crystals induces crystal-to-crystal transformation to LiPc·Clx.

scholarly journals Solid-State Conformational Flexibility at Work: Energetic Landscape of a Single Crystal-to-Single Crystal Transformation in a Cyclic Hexapeptoid

2021 ◽  
Vol 21 (2) ◽  
pp. 897-907
Author(s):  
Giovanni Pierri ◽  
Marta Corno ◽  
Eleonora Macedi ◽  
Maria Voccia ◽  
Consiglia Tedesco
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Conformational Flexibility ◽  
Crystal Transformation

A tale of hydrogen abstraction, initially detectedviaX-ray diffraction

2014 ◽  
Vol 70 (3) ◽  
pp. 250-255 ◽  
Author(s):  
Alice K. Hui ◽  
Chun-Hsing Chen ◽  
Adam M. Terwilliger ◽  
Richard L. Lord ◽  
Kenneth G. Caulton
Keyword(s):  
Solid State ◽  
Density Functional ◽  
Computational Study ◽  
Hydrogen Abstraction ◽  
Open Shell ◽  
X Ray Diffraction ◽  
Neutral Radical ◽  
X Ray ◽  
Chloride Ligand ◽  
Synthetic Reaction

Reaction of a bis-tetrazinyl pyridine pincer ligand, btzp, with a vanadium(III) reagent gives not a simple adduct but dichlorido{3-methyl-6-[6-(6-methyl-1,2,4,5-tetrazin-3-yl-κN2)pyridin-2-yl-κN]-1,4-dihydro-1,2,4,5-tetrazin-1-yl-κN1}oxidovanadium(IV) acetonitrile 2.5-solvate, [V(C11H10N9)Cl2O]·2.5CH3CN, a species which X-ray diffraction reveals to have one H atom added to one of the two tetrazinyl rings. This H atom was first revealed by a short intermolecular N...Cl contact in the unit cell and subsequently established, from difference maps, to be associated with a hydrogen bond. One chloride ligand has also been replaced by an oxide ligand in this synthetic reaction. This formula for the complex, [V(Hbtzp)Cl2O], leaves open the question of both ligand oxidation state and spin state. A computational study of all isomeric locations of the H atom shows the similarity of their energies, which is subject to perturbation by intermolecular hydrogen bonding found in X-ray work on the solid state. These density functional calculations reveal that the isomer with the H atom located as found in the solid state contains a neutral radical Hbtzp ligand and tetravalentd1V center, but that these two unpaired electrons are more stable as an open-shell singlet and hence antiferromagnetically coupled.

A solid-state colorimetric fluorescence Pb2+-sensing scheme: mechanically-driven CsPbBr3 nanocrystallization in glass

Nanoscale ◽  
2020 ◽  
Vol 12 (16) ◽  
pp. 8801-8808 ◽  
Author(s):  
Liqiang Zhang ◽  
Hang Lin ◽  
Congyong Wang ◽  
Wei-Ren Liu ◽  
Shuxing Li ◽  
...  
Keyword(s):  
Solid State ◽  
Borate Glass ◽  
Glass System ◽  
Glass Crystallization ◽  
System P

Herein, it is proposed a brand-new solid-state Pb2+-sensing strategy based on mechanically-driven glass crystallization in a Pb2+-responsive borate glass system.

A new criterion for the prediction of solid-state phase transition in TMDs

2019 ◽  
Vol 21 (43) ◽  
pp. 24070-24076 ◽  
Author(s):  
Sheng-Hai Zhu ◽  
Bao-Luo Yan ◽  
Wei Zeng ◽  
Dai-He Fan ◽  
Bin Tang ◽  
...  
Keyword(s):  
Phase Transition ◽  
Solid State ◽  
Fermi Level ◽  
System P ◽  
New Criterion

Based on the reverse shifts of the DOS curves near the Fermi level, we propose a new criterion for solid-state phase transition named Conch Criterion, which has been verified in the TMD system.

Lithium ion diffusion mechanism in covalent organic framework based solid state electrolyte

2019 ◽  
Vol 21 (19) ◽  
pp. 9883-9888 ◽  
Author(s):  
Kecheng Zhang ◽  
Bingkai Zhang ◽  
Mouyi Weng ◽  
Jiaxin Zheng ◽  
Shunning Li ◽  
...  
Keyword(s):  
Solid State ◽  
Diffusion Mechanism ◽  
Lithium Ion ◽  
One Dimension ◽  
Ion Diffusion ◽  
Solid State Electrolyte ◽  
Covalent Organic Framework ◽  
System P ◽  
Lithium Ion Diffusion ◽  
Organic Framework

Mechanism of Li-ions diffusion in a one-dimension tunnel of COF-5 and structure of the COF-5@LiClO4@THF system.

New Family of Aminophenalenyl-Based Neutral Radical Molecular Conductors:  Synthesis, Structure, and Solid State Properties

2005 ◽  
Vol 127 (22) ◽  
pp. 8185-8196 ◽  
Author(s):  
Swadhin K. Mandal ◽  
Mikhail E. Itkis ◽  
Xiaoliu Chi ◽  
Satyabrata Samanta ◽  
David Lidsky ◽  
...  
Keyword(s):  
Solid State ◽  
Molecular Conductors ◽  
Neutral Radical ◽  
New Family
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