Fine Tuning the Electronic Properties of [M(bpy)3]2+ Complexes by Chemical Pressure (M=Fe2+, Ru2+, Co2+, bpy=2,2′-Bipyridine)

2004 ◽  
pp. 81-96 ◽  
Author(s):  
Andreas Hauser ◽  
Nahid Amstutz ◽  
Sandra Delahaye ◽  
Asmaâ Sadki ◽  
Sabine Schenker ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Fine Tuning ◽  
Chemical Pressure

Fine-Tuning Electronic Properties of Luminescent Pt(II) Complexes via Vertex-Differentiated Coordination of Sterically Invariant Carborane-Based Ligands

2018 ◽  
Author(s):  
Kent O. Kirlikovali ◽  
Jonathan C. Axtell ◽  
Kierstyn Anderson ◽  
Peter I. Djurovich ◽  
Arnold L. Rheingold ◽  
...  
Keyword(s):  
Coordination Chemistry ◽  
Metal Complexes ◽  
Electronic Properties ◽  
Fine Tuning ◽  
Fine Tune

We report the synthesis of two isomeric Pt(II) complexes ligated by doubly deprotonated 1,1′-bis(<i>o</i>-carborane) (<b>bc</b>). This work provides a potential route to fine-tune the electronic properties of luminescent metal complexes by virtue of vertex-differentiated coordination chemistry of carborane-based ligands.

Fine-Tuning Electronic Properties of Luminescent Pt(II) Complexes via Vertex-Differentiated Coordination of Sterically Invariant Carborane-Based Ligands

2018 ◽  
Vol 37 (18) ◽  
pp. 3122-3131 ◽  
Author(s):  
Kent O. Kirlikovali ◽  
Jonathan C. Axtell ◽  
Kierstyn Anderson ◽  
Peter I. Djurovich ◽  
Arnold L. Rheingold ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Fine Tuning

Fine Tuning of the Electronic Properties of Linear π-Conjugated Oligomers by Covalent Bridging

2006 ◽  
Vol 12 (4) ◽  
pp. 1244-1255 ◽  
Author(s):  
Philippe Blanchard ◽  
Patrick Verlhac ◽  
Laurent Michaux ◽  
Pierre Frère ◽  
Jean Roncali
Keyword(s):  
Electronic Properties ◽  
Fine Tuning ◽  
Conjugated Oligomers ◽  
Covalent Bridging

scholarly journals S,N-Heteropentacenes – Syntheses of Electron-Rich Anellated Pentacycles

2021 ◽  
Vol 03 (02) ◽  
pp. 155-167
Author(s):  
Henning R. V. Berens ◽  
Thomas J. J. Müller
Keyword(s):  
Electronic Properties ◽  
Electron Density ◽  
Molecular Electronics ◽  
Sulfur Content ◽  
Crystallization Behavior ◽  
Fine Tuning ◽  
Structural Elements ◽  
Nitrogen Incorporation ◽  
Diverse Application ◽  
Fused Thiophenes

This review summarizes syntheses of S,N-heteropentacenes, i.e. electron-rich sulfur and nitrogen-embedding pentacycles, and briefly highlights selected applications in molecular electronics. Depending on the anellation mode and the number of incorporated heteroatoms, electron density can be raised by increasing nitrogen incorporation and polarizability is manifested by the sulfur content. In comparison to triacene analogues, the conjugation pathways of S,N-heteropentacenes are increased and the favorable acene-typical crystallization behavior allows for diverse application in organic electronics. Furthermore, substitution patterns allow fine-tuning the electronic properties, extending the π-systems, and supplying structural elements for further application.1 Introduction2 Thiophene-Centered S,N-Heteropentacenes2.1 Dipyrrolo-Fused Thiophenes2.2 Diindolo-Fused Thiophenes3 Pyrrole-Centered S,N-Heteropentacenes3.1 Dithieno-Fused Pyrroles3.2 Bis[1]benzothieno-Fused Pyrrole4 Fused 1,4-Thiazines4.1 Dinaphtho-Fused 1,4-Thiazines4.2 Bis[1]benzothieno-Fused 1,4-Thiazines5 Conclusions and Outlook

scholarly journals Applications of Filled Single-Walled Carbon Nanotubes: Progress, Challenges, and Perspectives

Nanomaterials ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 2863
Author(s):  
Marianna V. Kharlamova ◽  
Christian Kramberger
Keyword(s):  
Carbon Nanotubes ◽  
Electronic Properties ◽  
Light Emission ◽  
Chemical Properties ◽  
Single Walled Carbon Nanotubes ◽  
Fine Tuning ◽  
Single Walled Carbon ◽  
Physical And Chemical ◽  
Walled Carbon Nanotubes ◽  
And Chemical Properties

Single-walled carbon nanotubes (SWCNTs), which possess electrical and thermal conductivity, mechanical strength, and flexibility, and are ultra-light weight, are an outstanding material for applications in nanoelectronics, photovoltaics, thermoelectric power generation, light emission, electrochemical energy storage, catalysis, sensors, spintronics, magnetic recording, and biomedicine. Applications of SWCNTs require nanotube samples with precisely controlled and customized electronic properties. The filling of SWCNTs is a promising approach in the fine-tuning of their electronic properties because a large variety of substances with appropriate physical and chemical properties can be introduced inside SWCNTs. The encapsulation of electron donor or acceptor substances inside SWCNTs opens the way for the Fermi-level engineering of SWCNTs for specific applications. This paper reviews the recent progress in applications of filled SWCNTs and highlights challenges that exist in the field.

The Role of the Surface Coverage on the Structural and the Electronic Properties of TiO2 Nanocrystals

2009 ◽  
Vol 1178 ◽  
Author(s):  
Amilcare Iacomino ◽  
Giovanni Cantele ◽  
Fabio Trani ◽  
Domenico Ninno ◽  
Ivan Marri ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Electronic Properties ◽  
Alternative Energy ◽  
Surface Coverage ◽  
Topological Analysis ◽  
Fine Tuning ◽  
Global Features ◽  
Electronic Density ◽  
Theoretical Understanding ◽  
Valence Bands

AbstractThe titanium dioxide (TiO2) complexes are widely investigated for their striking and multipurpose capabilities. The TiO2 key feature lies in its photocatalytic activity for several reactions of social (bioengineering, environmental and artistic protection, pollution containment) and commercial (photovoltaic, alternative-energy, gas sensing) interests. The possibility to enhance specific reactions at the nanoscale by a fine tuning of the nano-sized single crystals properties boosted in the last decade the scientific research. Thus a theoretical understanding of the fundamental properties of TiO2 nanocrystals became necessary to predict and expedite the experimental effords. We present here a characterization of TiO2 0D nanoclusters and 1D nanowires in the framework of ab initio DFT calculations. Based on both theoretical and experimental evidences we defined a stoichiometric TiO2 NC by modifying a perfect bipyramidal morphology and then used this NC as a chain repetition unit in the NW. We analyzed the effect of the surface coverage by functionalizing dangling bonds with simple adsorbates (dissociated water and hydrogens) modeling two acidic environments. These terminations are important to model the basical interactions of TiO2 nanosystems with the hydration sphere, which is always found to surround the nanosamples and toaffect their photocatalytic activity. We thus address the electronic reorganization and the surface weight in determining the global features of the nanostructures. The structural reconstruction is found to depend on the surface coverage and the experimental evidences on the structural variations can be explained by a topological analysis of the Ti-O bonds. Quantum confinement effects in the electronic properties are observed through the bandgap widening and the discretization of the energy distribution, but the surface competes to determine the energy dispersion of the electronic levels. The hydrogenated nanocrystals do show occupied levels at the bottom of the coduction bands, thus leading to metallic nanowires in one dimension. Whereas in the hydrogenated cluster such levels present a localized charge distribution with respect to the whole structure and they are also similar for the atomic orbital character and energy position to the defect states obtained by oxygens desorption. From the analysis of the electronic density of states we found that Ti-H bonds induce in-gap states above the valence bands, whereas hydration leads to occupied states that shift the valence bands to lower binding energies. Formation energy calculations reveal that surface hydration leads to the most stable nanocrystals, in agreement with the experimental findings that water coverage stabilizes the surface.

Synthesis and electronic properties of A3B-thienyl porphyrins: experimental and computational investigations

2019 ◽  
Vol 43 (3) ◽  
pp. 1569-1580 ◽  
Author(s):  
Poomani Ram Kumar ◽  
Neethinathan Johnee Britto ◽  
Arunkumar Kathiravan ◽  
Antonia Neels ◽  
Madhavan Jaccob ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Fine Tuning ◽  
Phenyl Substituent ◽  
Frontier Orbitals ◽  
Facile Synthesis

A facile synthesis ofmeso-thienyl porphyrins containing a phenyl substituent allows fine tuning of the frontier orbitals to suit applications in DSSC and photomedicine.

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