Synthesis, structural and photophysical properties of dimethyl-phosphino(perfluoro-)phenylene-based gold(I) dimers

2022 ◽  
Author(s):  
Felix Mueller ◽  
Lucas Wickemeyer ◽  
Jan Schwabedissen ◽  
Martin Ertl ◽  
Beate Neumann ◽  
...  
Keyword(s):  
Photophysical Properties ◽  
Exchange Reactions

Starting with 1,2 dibromobenzene and 1,2,3,4 tetrafluorobenzene, dimethyl(2-(trimethylstannyl)phenyl)phosphane, Me2P(o-C6H4)SnMe2, and dimethyl-[2,3,4,5-tetrafluoro 6 (trimethylstannyl)phenyl]phosphane, Me3P(o-C6F4)SnMe3, were synthesized and used in tin-gold exchange reactions to prepare two gold(I) dimers, bis[(2 dimethylphosphino)phenyl]di-gold(I), [Au2(μ2-C6H4PMe2)2],...

Exchange reactions and electrolytic dissociation

1948 ◽  
Vol 45 ◽  
pp. 147-149 ◽  
Author(s):  
C. C. Evans ◽  
S. Sugden
Keyword(s):  
Exchange Reactions ◽  
Electrolytic Dissociation

Modeling of photosynthesis light curves by linear splines

2019 ◽  
pp. 20-29
Author(s):  
Alexander S. Lelekov ◽  
Rudolf P. Trenkenshu
Keyword(s):  
Experimental Data ◽  
Chlorophyll A ◽  
Skeletonema Costatum ◽  
Light Flux ◽  
Photosynthesis Rate ◽  
Light Curves ◽  
External Irradiation ◽  
Exchange Reactions ◽  
Cell Adaptation ◽  
Linear Splines

The paper presents an example of the linear splines use to describe the photosynthesis light curves for microalgae culture. The main mathematical models of the relationship between photosynthesis rate and light are listed. Based on the previously formulated basic principles of modeling microalgae photobiosynthesis, a mathematical model is proposed that describes the dependence of the assimilation number of chlorophyll a on the value of the light flux by linear splines. The advantage of the proposed approach is a clear definition of the point of change of the limiting factor. It is shown that light-limited photosynthesis rate is determined not only by external irradiation, but also by the concentration of chlorophyll a. The light-saturated rate depends on the amount of a key enzyme complex, which limits the rate of energy exchange reactions in the cell. Verification of the proposed model on the example of the diatom microalgae Skeletonema costatum was carried out. It is shown that the higher the degree of cell adaptation to high irradiation, the better the photosynthesis curve is described by linear splines. If S. costatum cells are adapted to low irradiation, deviations of experimental data from the idealized broken line are observed, which are caused by changes in the pigment composition. When the experimental data are normalized, the cell adaptation factor is reduced, all points are described by a single broken line, which indicates the universality of the proposed approach.

Solvent Dependence of Structural Dynamics and Spin-flip Processes in 3,4,5-tri(9H-carbazole-9-yl)benzonitrile (ortho-3CzBN)

2020 ◽  
Author(s):  
Masaki Saigo ◽  
Kiyoshi Miyata ◽  
Hajime Nakanotani ◽  
Chihaya Adachi ◽  
Ken Onda
Keyword(s):  
Dft Calculations ◽  
Excited States ◽  
Structural Changes ◽  
Photophysical Properties ◽  
Delayed Fluorescence ◽  
Time Resolved ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Solvent Dependence ◽  
Acetonitrile Solutions

We have investigated the solvent-dependence of structural changes along with intersystem crossing of a thermally activated delayed fluorescence (TADF) molecule, 3,4,5-tri(9H-carbazole-9-yl)benzonitrile (o-3CzBN), in toluene, tetrahydrofuran, and acetonitrile solutions using time-resolved infrared (TR-IR) spectroscopy and DFT calculations. We found that the geometries of the S1 and T1 states are very similar in all solvents though the photophysical properties mostly depend on the solvent. In addition, the time-dependent DFT calculations based on these geometries suggested that the thermally activated delayed fluorescence process of o-3CzBN is governed more by the higher-lying excited states than by the structural changes in the excited states.<br>

Theoretical Framework of 1,3-Thiazolium-5-Thiolates Mesoionic Compounds: Exploring the Nature of Photophysical Properties and Molecular Nonlinearity

2020 ◽  
Author(s):  
Zeyu Liu ◽  
Shugui Hua ◽  
Tian Lu ◽  
Ziqi Tian
Keyword(s):  
Optical Properties ◽  
Rational Design ◽  
Rayleigh Scattering ◽  
Function Analysis ◽  
Theoretical Calculations ◽  
Photophysical Properties ◽  
Optical Nonlinearity ◽  
Nonlinear Properties ◽  
Photoelectric Performance ◽  
Wave Function Analysis

Inspired by a previous experimental study on the first-order hyperpolarizabilities of 1,3-thiazolium-5-thiolates mesoionic compounds using Hyper-Rayleigh scattering technique, we theoretically investigated the UV-Vis absorption spectra and every order polarizabilities of these mesoionic molecules. Based on the fact that the photophysical and nonlinear properties observed in the experiment can be perfectly replicated, our theoretical calculations explored the essential characteristics of the optical properties of the mesoionic compounds with different electron-donating groups at the level of electronic structures through various wave function analysis methods. The influence of the electron-donating ability of the donor on the optical properties of the molecules and the contribution of the mesoionic ring moiety to their optical nonlinearity are clarified, which have not been reported by any research so far. This work will help people understand the nature of optical properties of mesoionic-based molecules and provide guidance for the rational design of molecules with excellent photoelectric performance in the future.

Exploration of Bis(Arylimidazole) Iridium Picolinate Complexes

2017 ◽  
Author(s):  
Aron Huckaba ◽  
sadig aghazada ◽  
iwan zimmermann ◽  
giulia grancini ◽  
natalia gasilova ◽  
...  
Keyword(s):  
Cyclic Voltammetry ◽  
Photophysical Properties ◽  
Structure Property ◽  
Aryl Group ◽  
Ligand Modification ◽  
Property Relationship ◽  
Structure Property Relationship

The straightforward synthesis and photophysical properties of a new series of heteroleptic Iridium (III) bis(2-arylimidazole) picolinate complexes is reported. Each complex has been characterized by NMR, UV-Vis, cyclic voltammetry, and the emissive properties of each is described. By systematically modifying first the cyclometallating aryl group on the arylimidazole ligand and then the picolinate ligand, the ramifications of ligand modification in these complexes was better understood through the construction of a structure-property relationship.

Exploration of Bis(Arylimidazole) Iridium Picolinate Complexes

2017 ◽  
Author(s):  
Aron Huckaba ◽  
sadig aghazada ◽  
iwan zimmermann ◽  
giulia grancini ◽  
natalia gasilova ◽  
...  
Keyword(s):  
Cyclic Voltammetry ◽  
Photophysical Properties ◽  
Structure Property ◽  
Aryl Group ◽  
Ligand Modification ◽  
Property Relationship ◽  
Structure Property Relationship

The straightforward synthesis and photophysical properties of a new series of heteroleptic Iridium (III) bis(2-arylimidazole) picolinate complexes is reported. Each complex has been characterized by NMR, UV-Vis, cyclic voltammetry, and the emissive properties of each is described. By systematically modifying first the cyclometallating aryl group on the arylimidazole ligand and then the picolinate ligand, the ramifications of ligand modification in these complexes was better understood through the construction of a structure-property relationship.

Probing the Structural Features and the Micro-heterogeneity of Various Deep Eutectic Solvents and their Water Dilutions by the Photophysical Behaviour of Two Fluorophores

2020 ◽  
Author(s):  
Matteo Tiecco ◽  
Irene Di Guida ◽  
Pier Luigi Gentili ◽  
Raimondo Germani ◽  
Carmela Bonaccorso ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Transient Absorption ◽  
Photophysical Properties ◽  
Deep Eutectic Solvents ◽  
Structural Features ◽  
Solvation Dynamics ◽  
Structured Systems ◽  
Reduced Viscosity ◽  
Bond Network ◽  
Fluorescent Molecules

<div><div><div><p>The structural features of a series of diverse Deep Eutectic Solvents (DESs) have been investigated and characterized by means of two fluorescent probes. The spectral and photophysical properties of the latter are strictly dependent on the experienced environment, so that they can provide insights into the polarity, viscosity, hydrogen-bond network, and micro-heterogeneity of the various DESs.</p><p>In fact, the investigated DESs exhibit a variety of properties with regards to their hydrophilicity, acidity, and hydrogen-bond ability, and these details were deeply probed by the two fluorescent molecules. The effect of the addition of water, which is a key strategy for tuning the properties of these structured systems, was also tested. In particular, the excited state dynamics of the probes, measured by femtosecond-resolved transient absorption, proved instrumental in understanding the changes in the structural properties of the DESs, namely reduced viscosity and enhanced heterogeneity, as the water percentage increases. Differences between the various DESs in terms of both local microheterogeneity and bulk viscosity also emerged from the peculiar multi-exponential solvation dynamics undergone by the excited states of the probes.</p></div></div></div>

Probing the Structural Features and the Micro-heterogeneity of Various Deep Eutectic Solvents and their Water Dilutions by the Photophysical Behaviour of Two Fluorophores

2020 ◽  
Author(s):  
Matteo Tiecco ◽  
Irene Di Guida ◽  
Pier Luigi Gentili ◽  
Raimondo Germani ◽  
Carmela Bonaccorso ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Transient Absorption ◽  
Photophysical Properties ◽  
Deep Eutectic Solvents ◽  
Structural Features ◽  
Solvation Dynamics ◽  
Structured Systems ◽  
Reduced Viscosity ◽  
Bond Network ◽  
Fluorescent Molecules

<div><div><div><p>The structural features of a series of diverse Deep Eutectic Solvents (DESs) have been investigated and characterized by means of two fluorescent probes. The spectral and photophysical properties of the latter are strictly dependent on the experienced environment, so that they can provide insights into the polarity, viscosity, hydrogen-bond network, and micro-heterogeneity of the various DESs.</p><p>In fact, the investigated DESs exhibit a variety of properties with regards to their hydrophilicity, acidity, and hydrogen-bond ability, and these details were deeply probed by the two fluorescent molecules. The effect of the addition of water, which is a key strategy for tuning the properties of these structured systems, was also tested. In particular, the excited state dynamics of the probes, measured by femtosecond-resolved transient absorption, proved instrumental in understanding the changes in the structural properties of the DESs, namely reduced viscosity and enhanced heterogeneity, as the water percentage increases. Differences between the various DESs in terms of both local microheterogeneity and bulk viscosity also emerged from the peculiar multi-exponential solvation dynamics undergone by the excited states of the probes.</p></div></div></div>

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