Exploration of Bis(Arylimidazole) Iridium Picolinate Complexes

Structure Property ◽

Aryl Group ◽

Ligand Modification ◽

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.

Aggregation Effects on Photophysical Properties of NBN-Doped Polycyclic Aromatic Hydrocarbons: A Theoretical Study

Physical Chemistry Chemical Physics ◽

10.1039/d1cp03726a ◽

2021 ◽

Author(s):

Yi Zeng ◽

Junfang Yang ◽

Xiaoyan Zheng

Keyword(s):

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Theoretical Study ◽

Structure Property ◽

Vital Importance ◽

Property Relationship ◽

Polycyclic Aromatic ◽

Boron Nitrogen

To realize the precise munipulation of the optoelectrical properties of boron–nitrogen (B–N) unit-doped Polycyclic aromatic hydrocarbons (PAHs), unraveling the structure-property relationship behind is of vital importance. In this work, we...

Synthesis of δ-Carbolines and the Alkaloid Quindoline through a Molybdenum-Catalyzed Cadogan Cyclization and their Photoluminescent Properties

Synlett ◽

10.1055/s-0037-1612416 ◽

2019 ◽

Vol 30 (08) ◽

pp. 919-923

Author(s):

Vladislav Shuvalov ◽

Anna Rupp ◽

Anna Kuratova ◽

Alexander Fisyuk ◽

Andrey Nefedov ◽

...

Keyword(s):

Reductive Cyclization ◽

Structure Property ◽

New Approach ◽

Property Relationship ◽

Cadogan reductive cyclization of substituted 2-aryl-3-nitropyridines to give δ-carbolines was performed under MoO2Cl2(DMF)2 catalysis with triphenylphosphine as a ligand. A new approach for the synthesis of the alkaloid quindoline based on a Mo(VI)-catalyzed Cadogan reductive cyclization of 2-phenyl-3-nitro-5,6,7,8-tetrahydroquinoline followed by aromatization of the resulting 2,3,4,10-tetrahydro-1H-indolo[3,2-b]quinoline is proposed. Various о-nitroarylpyridines, obtained by reacting acylpyruvates and cyclic hydroxymethylene ketones with nitroacetophenone enamines, were used as starting compounds for the preparation of δ-carbolines. The synthesized δ-carbolines were found to act as phosphors; their photophysical properties were studied and a structure–property relationship was revealed.

Structure property relationship of linear and angular pyrazine-based structural isomers with terminal D-A groups and evaluation of their photophysical properties

Dyes and Pigments ◽

10.1016/j.dyepig.2019.04.057 ◽

2019 ◽

Vol 168 ◽

pp. 357-368 ◽

Cited By ~ 3

Author(s):

Puttavva Meti ◽

Dong-Jin Park ◽

Young-Dae Gong

Keyword(s):

Structure Property ◽

Structural Isomers ◽

Property Relationship ◽

Relationship Of

Simple Thiophene Based Organic Dyes as Active Photosensitizers for DSSC Application: from Molecular Design to Structure Property Relationship

Journal of Nano- and Electronic Physics ◽

10.21272/jnep.12(2).02039 ◽

2020 ◽

Vol 12 (2) ◽

pp. 02039-1-02039-5 ◽

Cited By ~ 1

Author(s):

Kavya S. Keremane ◽

◽

Praveen Naik ◽

Airody Vasudeva Adhikari ◽

◽

...

Keyword(s):

Molecular Design ◽

Organic Dyes ◽

Structure Property ◽

Property Relationship ◽

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

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/1386207321666180927102836 ◽

2018 ◽

Vol 21 (7) ◽

pp. 533-542 ◽

Cited By ~ 2

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 ◽

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 ◽

10.1016/j.tet.2010.09.004 ◽

2010 ◽

Vol 66 (45) ◽

pp. 8729-8733 ◽

Cited By ~ 13

Author(s):

M.S. Wrackmeyer ◽

M. Hummert ◽

H. Hartmann ◽

M.K. Riede ◽

K. Leo

Keyword(s):

Structure Property ◽

Property Relationship ◽

Relationship Of

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

New Journal of Chemistry ◽

10.1039/d0nj05647b ◽

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 ◽

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...