Building Blocks for Molecular and Macromolecular "Metals" Electronic Structure of Group Iva Phthalocyanine Monomers and Cofacially-Joined Dimers

1984 ◽  
Vol 105 (1) ◽  
pp. 273-287 ◽  
Author(s):  
William Pietro ◽  
Donald Ellis ◽  
Tobin Marks ◽  
Mark Ratner
Keyword(s):  
Electronic Structure ◽  
Building Blocks ◽  
Group Iva

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 Breaking Down the Problem: Optical Transitions, Electronic Structure, and Photoconductivity in Conjugated Polymer PCDTBT and in Its Separate Building Blocks

2012 ◽  
Vol 116 (21) ◽  
pp. 11456-11469 ◽  
Author(s):  
Natalie Banerji ◽  
Eric Gagnon ◽  
Pierre-Yves Morgantini ◽  
Sebastian Valouch ◽  
Ali Reza Mohebbi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Conjugated Polymer ◽  
Building Blocks ◽  
Optical Transitions

Ultraviolet spectra and electronic structure of group IVA dichlorides

1969 ◽  
Vol 29 (1-3) ◽  
pp. 152-162 ◽  
Author(s):  
J.W Hastie ◽  
R.H Hauge ◽  
J.L Margrave
Keyword(s):  
Electronic Structure ◽  
Ultraviolet Spectra ◽  
Group Iva

ELECTRONIC STRUCTURE OF ASSEMBLED CLUSTERS WITHIN THE STABILIZED JELLIUM MODEL

1996 ◽  
Vol 03 (01) ◽  
pp. 1001-1006
Author(s):  
HENRIK GRÖNBECK ◽  
ARNE ROSÉN
Keyword(s):  
Electronic Structure ◽  
Binding Energy ◽  
Fermi Level ◽  
Electronic Properties ◽  
Closed Shell ◽  
Building Blocks ◽  
Jellium Model

The electronic structure of assembled closed shell clusters have been analyzed using a spherical, stabilized jellium description of the clusters. The effects of including stabilization terms to the jellium model were investigated by calculating the properties of cluster dimers, (Na20)2 and ( Cu 20)2. In addition, the electronic properties of a material consisting of closed shell Al 12X clusters, where X is C or Si, were investigated using a model of six clusters. The large gap at the Fermi level present for the building blocks was also found to appear for the cluster-assembled material. The binding energy of the clusters in the cluster-assembled material was compared with that of an atomic Al lattice.

scholarly journals 1,2-Azaborine’s Distinct Electronic Structure Unlocks Two New Regioisomeric Building Blocks via Resolution Chemistry

2019 ◽  
Vol 141 (22) ◽  
pp. 9072-9078 ◽  
Author(s):  
Cameron R. McConnell ◽  
Fredrik Haeffner ◽  
Andrew W. Baggett ◽  
Shih-Yuan Liu
Keyword(s):  
Electronic Structure ◽  
Building Blocks

scholarly journals Selfsimilar analysis of n-type delta-doped quasiregular GaAs quantum wells

Nova Scientia ◽  
2014 ◽  
Vol 6 (12) ◽  
pp. 162
Author(s):  
Heraclio García-Cervantes ◽  
Isaac Rodríguez-Vargas
Keyword(s):  
Electronic Structure ◽  
Quantum Wells ◽  
Tight Binding ◽  
Fibonacci Sequence ◽  
Building Blocks ◽  
Binding Model ◽  
Localized State ◽  
The Difference ◽  
Surface Green Function ◽  
Semi Empirical

We study the electronic structure of n-type delta-doped quantum wells in GaAs in which the multiple well system is built according to the Fibonacci sequence. The building blocks A and B correspond to delta-doped wells with impurities densities n2DA and n2DB, and the same well width. The Thomas-Fermi approximation, the semi-empirical sp3s* tight-binding model including spin, the Surface Green Function Matching method and the Transfer Matrix approach were implemented to obtain the confining potential, the electronic structure and the selfsimilarity of the spectrum. The fragmentation of the electronic spectra is observed whenever the building blocks A and B interact and it increases as the difference of impurities density between A and B increases as well. The wave function of the first state of the fragmented bands presents critical characteristics, this is, it is not a localized state nor a extended one as well as it has selfsimilar features. So, the quasiregular characteristics are preserved irrespective of the complexity of the system and can affect the performance of devices based on these structures

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