Structure, photophysical properties and computational study of a highly luminescent mixed-metal platinum(ii)–silver(i) system. Potential building blocks for emissive supramolecular structures

2012 ◽  
Vol 41 (29) ◽  
pp. 8773 ◽  
Author(s):  
Elizabeth Suk Hang Lam ◽  
Anthony Yiu-Yan Tam ◽  
Wai Han Lam ◽  
Keith Man-Chung Wong ◽  
Nianyong Zhu ◽  
...  
Keyword(s):  
Computational Study ◽  
Photophysical Properties ◽  
Building Blocks ◽  
Supramolecular Structures ◽  
Mixed Metal

Dibenzochrysene Enables Tightly Controlled Docking and Stabilizes Photoexcited States in Dual-Pore Covalent Organic Frameworks

2019 ◽  
Author(s):  
Torben Sick ◽  
Niklas Keller ◽  
Nicolai Bach ◽  
Andreas Koszalkowski ◽  
Julian Rotter ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Photophysical Properties ◽  
Visible Spectrum ◽  
Large Family ◽  
Building Blocks ◽  
Band Gaps ◽  
Docking Site ◽  
Covalent Organic Frameworks ◽  
Connected Node ◽  
Optoelectronic Applications

Covalent organic frameworks (COFs), consisting of covalently connected organic building units, combine attractive features such as crystallinity, open porosity and widely tunable physical properties. For optoelectronic applications, the incorporation of heteroatoms into a 2D COF has the potential to yield desired photophysical properties such as lower band gaps, but can also cause lateral offsets of adjacent layers. Here, we introduce dibenzo[g,p]chrysene (DBC) as a novel building block for the synthesis of highly crystalline and porous 2D dual-pore COFs showing interesting properties for optoelectronic applications. The newly synthesized terephthalaldehyde (TA), biphenyl (Biph), and thienothiophene (TT) DBC-COFs combine conjugation in the a,b-plane with a tight packing of adjacent layers guided through the molecular DBC node serving a specific docking site for successive layers. The resulting DBC-COFs exhibit a hexagonal dual-pore kagome geometry, which is comparable to COFs containing another molecular docking site, namely 4,4′,4″,4‴-(ethylene-1,1,2,2-tetrayl)-tetraaniline (ETTA). In this context, the respective interlayer distances decrease from about 4.60 Å in ETTA-COFs to about 3.6 Å in DBC-COFs, leading to well-defined hexagonally faceted single crystals sized about 50-100 nm. The TT DBC-COFs feature broad light absorption covering large parts of the visible spectrum, while Biph DBC-COF shows extraordinary excited state lifetimes exceeding 10 ns. In combination with the large number of recently developed linear conjugated building blocks, the new DBC tetra-connected node is expected to enable the synthesis of a large family of strongly p-stacked, highly ordered 2D COFs with promising optoelectronic properties.

scholarly journals Core-Substituted Naphthalene-diimides (cNDI) and Related Derivatives: Versatile Scaffold for Supramolecular Assembly and Functional Materials

2021 ◽  
Author(s):  
Anurag Mukherjee ◽  
Suhrit Ghosh
Keyword(s):  
Photophysical Properties ◽  
Supramolecular Assembly ◽  
Functional Materials ◽  
Building Blocks ◽  
Short Review ◽  
Molecular Engineering ◽  
Organic Optoelectronics ◽  
Naphthalene Diimide ◽  
Naphthalene Diimides ◽  
Derivatives Of

Naphthalene-diimide (NDI) derived building blocks have been explored extensively for supramolecular assembly as they exhibit attractive photophysical properties, suitable for applications in organic optoelectronics. Core-substituted derivatives of the NDI chromophore (cNDI) differ significantly from the parent NDI dye in terms of optical and redox properties. Adequate molecular engineering opportunities and substitution-dependent tunable optoelectronic properties make cNDI derivatives highly promising candidates for supramolecular assembly and functional material. This short review discusses recent development in the area of functional supramolecular assemblies based on cNDIs and related molecules.

scholarly journals Electrochemical reduction of acetonitrile to ethylamine

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Rong Xia ◽  
Dong Tian ◽  
Shyam Kattel ◽  
Bjorn Hasa ◽  
Haeun Shin ◽  
...  
Keyword(s):  
Computational Study ◽  
Building Blocks ◽  
Primary Amines ◽  
Hydrogen Electrode ◽  
Faradaic Efficiency ◽  
Fossil Energy ◽  
Chemical Manufacturing ◽  
Stable Performance ◽  
Temperature And Pressure ◽  
Partial Current

AbstractElectrifying chemical manufacturing using renewable energy is an attractive approach to reduce the dependence on fossil energy sources in chemical industries. Primary amines are important organic building blocks; however, the synthesis is often hindered by the poor selectivity because of the formation of secondary and tertiary amine byproducts. Herein, we report an electrocatalytic route to produce ethylamine selectively through an electroreduction of acetonitrile at ambient temperature and pressure. Among all the electrocatalysts, Cu nanoparticles exhibit the highest ethylamine Faradaic efficiency (~96%) at −0.29 V versus reversible hydrogen electrode. Under optimal conditions, we achieve an ethylamine partial current density of 846 mA cm−2. A 20-hour stable performance is demonstrated on Cu at 100 mA cm−2 with an 86% ethylamine Faradaic efficiency. Moreover, the reaction mechanism is investigated by computational study, which suggests the high ethylamine selectivity on Cu is due to the moderate binding affinity for the reaction intermediates.

scholarly journals Fluorinated azobenzenes as supramolecular halogen-bonding building blocks

2019 ◽  
Vol 15 ◽  
pp. 2013-2019 ◽  
Author(s):  
Esther Nieland ◽  
Oliver Weingart ◽  
Bernd M Schmidt
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
Visible Light ◽  
Half Life ◽  
Photophysical Properties ◽  
Bathochromic Shift ◽  
Halogen Bonding ◽  
Building Blocks ◽  
Partial Overlap

ortho-Fluoroazobenzenes are a remarkable example of bistable photoswitches, addressable by visible light. Symmetrical, highly fluorinated azobenzenes bearing an iodine substituent in para-position were shown to be suitable supramolecular building blocks both in solution and in the solid state in combination with neutral halogen bonding acceptors, such as lutidines. Therefore, we investigate the photochemistry of a series of azobenzene photoswitches. Upon introduction of iodoethynyl groups, the halogen bonding donor properties are significantly strengthened in solution. However, the bathochromic shift of the π→π* band leads to a partial overlap with the n→π* band, making it slightly more difficult to address. The introduction of iodine substituents is furthermore accompanied with a diminishing thermal half-life. A series of three azobenzenes with different halogen bonding donor properties are discussed in relation to their changing photophysical properties, rationalized by DFT calculations.

Origins of the photoinitiation capacity of aromatic thiols as photoinitiatiors: a computational study

2021 ◽  
Author(s):  
Volkan Fındık ◽  
Basak Koca Fındık ◽  
Viktorya Aviyente ◽  
Antonio Monari
Keyword(s):  
Free Radical ◽  
Radical Polymerization ◽  
Computational Study ◽  
Photophysical Properties ◽  
Free Radical Polymerization ◽  
Aromatic Thiols

In this work, we report the photophysical properties of three thiol derivatives, commonly used as photoinitiators in thiol–ene free radical polymerization, the ultimate goal being to rationalize the main reason behind the photoinitiation efficiency.

scholarly journals Structural and Photophysical Properties of Various Polypyridyl Ligands: A Combined Experimental and Computational Study

ChemPhysChem ◽  
2020 ◽  
Vol 21 (22) ◽  
pp. 2489-2505
Author(s):  
Liesbeth De Bruecker ◽  
Jonas Everaert ◽  
Pascal Van Der Voort ◽  
Christian V. Stevens ◽  
Michel Waroquier ◽  
...  
Keyword(s):  
Computational Study ◽  
Photophysical Properties ◽  
Polypyridyl Ligands

scholarly journals Predicting the bulk modulus of single-layer covalent organic frameworks with square-lattice topology from molecular building-block properties

Nanoscale ◽  
2021 ◽  
Author(s):  
Antonios Raptakis ◽  
Arezoo Dianat ◽  
Alexander Croy ◽  
Gianaurelio Cuniberti
Keyword(s):  
Bulk Modulus ◽  
Elastic Properties ◽  
Building Block ◽  
Rational Design ◽  
Computational Study ◽  
Single Layer ◽  
Building Blocks ◽  
Square Lattice ◽  
New Materials ◽  
Molecular Building Block

This computational study establishes a correlation between the elastic properties of COFs and their building-blocks towards the rational design of new materials with tailored properties.

scholarly journals Synthesis of supramolecular structures via combination of calix[4]arenes with other medium-sized building blocks

1996 ◽  
Vol 68 (6) ◽  
pp. 1273-1277 ◽  
Author(s):  
A. M. A. van Wageningen ◽  
W. Verboom ◽  
D. N. Reinhoudt
Keyword(s):  
Building Blocks ◽  
Supramolecular Structures
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