Effect of charge transfer and structure property relationship in D-π-A system

2019 ◽  
Author(s):  
H. Usha ◽  
H. J. Ravindra
Keyword(s):  
Charge Transfer ◽  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship

scholarly journals Developing the structure–property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields

2018 ◽  
Vol 9 (14) ◽  
pp. 3592-3606 ◽  
Author(s):  
Bibhisan Roy ◽  
Mallu Chenna Reddy ◽  
Partha Hazra
Keyword(s):  
Charge Transfer ◽  
Solid State ◽  
Stimuli Responsive ◽  
Structure Property ◽  
Responsive Materials ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Potential Applications

Establishing the structure–property relationship for multi-stimuli responsive mechanochromic materials based on charge transfer luminogens.

Structure–property relationship of donor–acceptor acridones – an optical, electrochemical and computational study

2015 ◽  
Vol 17 (32) ◽  
pp. 20903-20911 ◽  
Author(s):  
K. D. Thériault ◽  
C. Radford ◽  
M. Parvez ◽  
B. Heyne ◽  
T. C. Sutherland
Keyword(s):  
Charge Transfer ◽  
Organic Materials ◽  
Intramolecular Charge Transfer ◽  
Computational Study ◽  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Donor Acceptor ◽  
Relationship Of

The effect of changing acceptor strength on intramolecular charge transfer absorption and its implication towards organic materials are investigated.

Structure–Property Relationship of Supramolecular Rotators of Coronene in Charge-Transfer Solids

2015 ◽  
Vol 15 (3) ◽  
pp. 1389-1394 ◽  
Author(s):  
Yukihiro Yoshida ◽  
Yoshihide Kumagai ◽  
Motohiro Mizuno ◽  
Gunzi Saito
Keyword(s):  
Charge Transfer ◽  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Relationship Of

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.

Quantitative Structure- Property Relationship (QSPR) Investigation of Camptothecin Drugs Derivatives

2018 ◽  
Vol 21 (7) ◽  
pp. 533-542 ◽  
Author(s):  
Neda Ahmadinejad ◽  
Fatemeh Shafiei ◽  
Tahereh Momeni Isfahani
Keyword(s):  
Thermodynamic Properties ◽  
Predictive Ability ◽  
Total Sample ◽  
Basis Sets ◽  
Quantitative Structure ◽  
Structure Property ◽  
Quantitative Structure Property Relationship ◽  
Chemical Structures ◽  
Property Relationship ◽  
Structure Property Relationship

Aim and Objective: Quantitative Structure- Property Relationship (QSPR) has been widely developed to derive a correlation between chemical structures of molecules to their known properties. In this study, QSPR models have been developed for modeling and predicting thermodynamic properties of 76 camptothecin derivatives using molecular descriptors. Materials and Methods: Thermodynamic properties of camptothecin such as the thermal energy, entropy and heat capacity were calculated at Hartree–Fock level of theory and 3-21G basis sets by Gaussian 09. Results: The appropriate descriptors for the studied properties are computed and optimized by the genetic algorithms (GA) and multiple linear regressions (MLR) method among the descriptors derived from the Dragon software. Leave-One-Out Cross-Validation (LOOCV) is used to evaluate predictive models by partitioning the total sample into training and test sets. Conclusion: The predictive ability of the models was found to be satisfactory and could be used for predicting thermodynamic properties of camptothecin derivatives.

Structure–property relationship of acceptor-substituted oligothiophenes

Tetrahedron ◽  
2010 ◽  
Vol 66 (45) ◽  
pp. 8729-8733 ◽  
Author(s):  
M.S. Wrackmeyer ◽  
M. Hummert ◽  
H. Hartmann ◽  
M.K. Riede ◽  
K. Leo
Keyword(s):  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Relationship Of

Copolymerization of urea and murexide for efficient photocatalytic hydrogen evolution and tetracycline degradation

2021 ◽  
Author(s):  
Zhilu Du ◽  
Xinyu Zhao ◽  
Yingnan Zhao ◽  
Huiying Sun ◽  
Yingqi Li ◽  
...  
Keyword(s):  
Small Molecules ◽  
Hydrogen Evolution ◽  
Effective Strategy ◽  
Structure Property ◽  
Photocatalytic Hydrogen Evolution ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Tetracycline Degradation ◽  
Depth Study

Copolymerization of urea and small molecules is an effective strategy to modify g-C3N4. To in-depth study the important effects of the introduction of small molecular moiety on the structure-property relationship...

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