Urea Azines (Bisguanidines): Electronic Structure, Redox Properties, and Coordination Chemistry

2015 ◽  
Vol 2015 (13) ◽  
pp. 2345-2361 ◽  
Author(s):  
Hendrik Herrmann ◽  
Matthias Reinmuth ◽  
Sven Wiesner ◽  
Olaf Hübner ◽  
Elisabeth Kaifer ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Coordination Chemistry ◽  
Redox Properties

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

Redox Properties of Iron Complexes with Pentadentate Bispidine Ligands

2014 ◽  
Vol 67 (3) ◽  
pp. 398 ◽  
Author(s):  
Peter Comba ◽  
Hubert Wadepohl ◽  
Arkadius Waleska
Keyword(s):  
Aqueous Solution ◽  
Cyclic Voltammetry ◽  
Coordination Chemistry ◽  
Aqueous Solutions ◽  
Iron Complexes ◽  
Redox Properties

The solution coordination chemistry of iron complexes with the pentadentate bispidine ligands L1, L2, and L3 (dimethyl 9-oxo-2,4-di(pyridin-2-yl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate derivatives) was examined. While in acetonitrile, (L1,2)FeII/III species have a preference for Cl– as co-ligand. The corresponding aqua and hydroxido complexes also prevail in the presence of Cl– in aqueous solution. The observed FeII/III potentials in water (cyclic voltammetry) and potentials of (L1–3)FeIV=O (buffered and unbuffered aqueous solutions) are strikingly similar, i.e. the latter are assigned to (L1–3)FeII/III potentials, and published potentials of FeIV=O complexes with other ligands with uncharged amine-pyridine donors, obtained by cyclic voltammetry, have to be considered with caution.

New Surface Atomic Structures for III-V(110)-p(1x1)-Sb(1ML):Chemical Bonding and Electronic Structure

1990 ◽  
Vol 193 ◽  
Author(s):  
John P. LaFemina ◽  
C. B. Duke ◽  
C. Maflhiot
Keyword(s):  
Electronic Structure ◽  
Coordination Chemistry ◽  
Total Energy ◽  
Small Molecule ◽  
Chemical Bonding ◽  
Energy Surface ◽  
Minimum Energy ◽  
Tight Binding ◽  
Atomic Structures

ABSTRACTTight-binding total energy computations are used to examine the chemical bonding and electronic structure for two new minimum-energy surface atomic structures for p(lxl) overlayers of Sb on III-V(110) surfaces. The bonding in each of these structures is unique, having no analog in either the bulk or small molecule coordination chemistry of these materials, and is a phenomenon uniquely associated with the constrained epitaxical growth of the Sb overlayer.

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.

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