Terminal Ligand Influence on the Electronic Structure and Intrinsic Redox Properties of the [Fe4S4]2+Cubane Clusters

2004 ◽  
Vol 43 (12) ◽  
pp. 3647-3655 ◽  
Author(s):  
You-Jun Fu ◽  
Xin Yang ◽  
Xue-Bin Wang ◽  
Lai-Sheng Wang
Keyword(s):  
Electronic Structure ◽  
Redox Properties ◽  
Terminal Ligand ◽  
Cubane Clusters

scholarly journals Naphthyl-Fused Phosphepines: Luminescent Contorted Polycyclic P-Heterocycles

2019 ◽  
Author(s):  
Thomas Delouche ◽  
Réka Mokrai ◽  
Thierry Roisnel ◽  
Denis Tondelier ◽  
Bernard Geffroy ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Phosphine Oxide ◽  
Steric Hindrance ◽  
Building Blocks ◽  
Redox Properties ◽  
Substitution Reactions ◽  
Pi Conjugated ◽  
New Family ◽  
Pi Systems

The article presents the synthesis of a new family of naphthyl-fused phosphepines through Ni-mediated C-C coupling. Interestingly, the chloro-phosphine-oxide intermediate shows strong resistance toward oxidation/hydrolysis due to a combination of steric hindrance and pnictogen interactions. However it can undergo substitution reactions under specific conditions. The optical / redox properties and the electronic structure of these new pi-systems were studied experimentally and computationally. Taking advantage of the luminescence of these derivatives, a blue emitting OLED has been prepared highlighting that these novel pi-conjugated P-heterocycles appear as promising building blocks for solid-state lightning applications.

scholarly journals Naphthyl-Fused Phosphepines: Luminescent Contorted Polycyclic P-Heterocycles

2019 ◽  
Author(s):  
Thomas Delouche ◽  
Réka Mokrai ◽  
Thierry Roisnel ◽  
Denis Tondelier ◽  
Bernard Geffroy ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Phosphine Oxide ◽  
Steric Hindrance ◽  
Building Blocks ◽  
Redox Properties ◽  
Substitution Reactions ◽  
Pi Conjugated ◽  
New Family ◽  
Pi Systems

The article presents the synthesis of a new family of naphthyl-fused phosphepines through Ni-mediated C-C coupling. Interestingly, the chloro-phosphine-oxide intermediate shows strong resistance toward oxidation/hydrolysis due to a combination of steric hindrance and pnictogen interactions. However it can undergo substitution reactions under specific conditions. The optical / redox properties and the electronic structure of these new pi-systems were studied experimentally and computationally. Taking advantage of the luminescence of these derivatives, a blue emitting OLED has been prepared highlighting that these novel pi-conjugated P-heterocycles appear as promising building blocks for solid-state lightning applications.

scholarly journals Coordination Chemistry of a Strongly-Donating Hydroxylamine with Early Actinides: An Investigation of Redox Properties and Electronic Structure

2018 ◽  
Vol 57 (8) ◽  
pp. 4387-4394 ◽  
Author(s):  
Alex McSkimming ◽  
Jing Su ◽  
Thibault Cheisson ◽  
Michael R. Gau ◽  
Patrick J. Carroll ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Coordination Chemistry ◽  
Redox Properties

Anthracene-Based Zwitterion with a Small HOMO‒LUMO Energy Gap

Synthesis ◽  
2021 ◽  
Author(s):  
Ayane Kayama ◽  
Akihiro Shimizu ◽  
Ryo Shintani
Keyword(s):  
Electronic Structure ◽  
Dft Calculations ◽  
Light Absorption ◽  
Energy Gap ◽  
Redox Properties ◽  
Low Energy ◽  
Structure And Properties ◽  
Lumo Energy ◽  
Homo Lumo

We have designed and synthesized an anthracene-based zwitterion, 2-methyl-2-azoniaanthracene-7-olate. The zwitterion shows amphoteric redox properties and low-energy light absorption originating from the small HOMO‒LUMO energy gap of ca. 1.7 eV. DFT calculations show that the combination of replacing the C–H with N+–Me and introducing O− is necessary to alter the electronic structure and properties of anthracene significantly.

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