Efficient Proton-Templated Synthesis of 18- to 38-Membered Tetraimino(amino)diphenol Macrocyclic Ligands:  Structural Features and Spectroscopic Properties

2004 ◽  
Vol 69 (16) ◽  
pp. 5419-5427 ◽  
Author(s):  
Bula Dutta ◽  
Pradip Bag ◽  
Bibhutosh Adhikary ◽  
Ulrich Flörke ◽  
Kamalaksha Nag
Keyword(s):  
Spectroscopic Properties ◽  
Structural Features ◽  
Macrocyclic Ligands ◽  
Templated Synthesis

scholarly journals Redox-State Dependent Spectroscopic Properties of Porous Organic Polymers Containing Furan, Thiophene, and Selenophene

2017 ◽  
Vol 70 (11) ◽  
pp. 1227 ◽  
Author(s):  
Carol Hua ◽  
Stone Woo ◽  
Aditya Rawal ◽  
Floriana Tuna ◽  
James M. Hook ◽  
...  
Keyword(s):  
Solid State ◽  
Redox State ◽  
Spectroscopic Properties ◽  
Structural Features ◽  
Organic Polymers ◽  
Stimuli Responsive ◽  
Porous Organic Polymers ◽  
Paramagnetic Resonance ◽  
Responsive Materials ◽  
State Dependent

A series of electroactive triarylamine porous organic polymers (POPs) with furan, thiophene, and selenophene (POP-O, POP-S, and POP-Se) linkers have been synthesised and their electronic and spectroscopic properties investigated as a function of redox state. Solid state NMR provided insight into the structural features of the POPs, while in situ solid state Vis-NIR and electron paramagnetic resonance spectroelectrochemistry showed that the distinct redox states in POP-S could be reversibly accessed. The development of redox-active porous organic polymers with heterocyclic linkers affords their potential application as stimuli responsive materials in gas storage, catalysis, and as electrochromic materials.

scholarly journals Noncovalent Bonds, Spectral and Thermal Properties of Substituted Thiazolo[2,3-b][1,3]thiazinium Triiodides

Crystals ◽  
2019 ◽  
Vol 9 (10) ◽  
pp. 506 ◽  
Author(s):  
Irina Yushina ◽  
Natalya Tarasova ◽  
Dmitry Kim ◽  
Vladimir Sharutin ◽  
Ekaterina Bartashevich
Keyword(s):  
Electron Density ◽  
Noncovalent Interactions ◽  
Material Design ◽  
Spectroscopic Properties ◽  
Structural Features ◽  
Halogen Bonds ◽  
X Ray Diffraction ◽  
Raman Spectroscopic ◽  
Pairwise Interactions ◽  
Noncovalent Bonds

The interrelation between noncovalent bonds and physicochemical properties is in the spotlight due to the practical aspects in the field of crystalline material design. Such study requires a number of similar substances in order to reveal the effect of structural features on observed properties. For this reason, we analyzed a series of three substituted thiazolo[2,3-b][1,3]thiazinium triiodides synthesized by an iodocyclization reaction. They have been characterized with the use of X-ray diffraction, Raman spectroscopy, and thermal analysis. Various types of noncovalent interactions have been considered, and an S…I chalcogen bond type has been confirmed using the electronic criterion based on the calculated electron density and electrostatic potential. The involvement of triiodide anions in the I…I halogen and S…I chalcogen bonding is reflected in the Raman spectroscopic properties of the I–I bonds: identical bond lengths demonstrate different wave numbers of symmetric triiodide vibration and different values of electron density at bond critical points. Chalcogen and halogen bonds formed by the terminal iodine atom of triiodide anion and numerous cation…cation pairwise interactions can serve as one of the reasons for increased thermal stability and retention of iodine in the melt under heating.

scholarly journals Azaacenes Based Electroactive Materials: Preparation, Structure, Electrochemistry, Spectroscopy and Applications—A Critical Review

Materials ◽  
2021 ◽  
Vol 14 (18) ◽  
pp. 5155
Author(s):  
Kamil Kotwica ◽  
Ireneusz Wielgus ◽  
Adam Proń
Keyword(s):  
Critical Review ◽  
Field Effect Transistors ◽  
Spectroscopic Properties ◽  
Molecular Shape ◽  
Structural Features ◽  
Redox Potentials ◽  
Preparation Methods ◽  
Organic Memory Devices ◽  
Distribution Mode ◽  
Reported Data

This short critical review is devoted to the synthesis and functionalization of various types of azaacenes, organic semiconducting compounds which can be considered as promising materials for the fabrication of n-channel or ambipolar field effect transistors (FETs), components of active layers in light emitting diodes (LEDs), components of organic memory devices and others. Emphasis is put on the diversity of azaacenes preparation methods and the possibility of tuning their redox and spectroscopic properties by changing the C/N ratio, modifying the nitrogen atoms distribution mode, functionalization with electroaccepting or electrodonating groups and changing their molecular shape. Processability, structural features and degradation pathways of these compounds are also discussed. A unique feature of this review concerns the listed redox potentials of all discussed compounds which were normalized vs. Fc/Fc+. This required, in frequent cases, recalculation of the originally reported data in which these potentials were determined against different types of reference electrodes. The same applied to all reported electron affinities (EAs). EA values calculated using different methods were recalculated by applying the method of Sworakowski and co-workers (Org. Electron. 2016, 33, 300–310) to yield, for the first time, a set of normalized data, which could be directly compared.

scholarly journals Theoretical and Experimental Investigations of Large Stokes Shift Fluorophores Based on a Quinoline Scaffold

Molecules ◽  
2020 ◽  
Vol 25 (11) ◽  
pp. 2488
Author(s):  
Barbara Czaplińska ◽  
Katarzyna Malarz ◽  
Anna Mrozek-Wilczkiewicz ◽  
Aneta Slodek ◽  
Mateusz Korzec ◽  
...  
Keyword(s):  
Theoretical Calculations ◽  
Stokes Shift ◽  
Visible Region ◽  
Spectroscopic Properties ◽  
Cellular Membrane ◽  
Structural Features ◽  
Quantum Yields ◽  
Experimental Investigations ◽  
Case Scenario ◽  
Fluorescence Quantum Yields

A series of novel styrylquinolines with the benzylidene imine moiety were synthesized and spectroscopically characterized for their applicability in cellular staining. The spectroscopic study revealed absorption in the ultraviolet–visible region (360–380 nm) and emission that covered the blue-green range of the light (above 500 nm). The fluorescence quantum yields were also determined, which amounted to 0.079 in the best-case scenario. The structural features that are behind these values are also discussed. An analysis of the spectroscopic properties and the theoretical calculations indicated the charge-transfer character of an emission, which was additionally evaluated using the Lippert–Mataga equation. Changes in geometry in the ground and excited states, which had a significant influence on the emission process, are also discussed. Additionally, the capability of the newly synthesized compounds for cellular staining was also investigated. These small molecules could effectively penetrate through the cellular membrane. Analyses of the images that were obtained with several of the tested styrylquinolines indicated their accumulation in organelles such as the mitochondria and the endoplasmic reticulum.

ChemInform Abstract: TEMPLATED SYNTHESIS OF INTERLOCKED MACROCYCLIC LIGANDS: THE CATENANDS

1984 ◽  
Vol 15 (34) ◽  
Author(s):  
C. O. DIETRICH-BUCHECKER ◽  
J.-P. SAUVAGE ◽  
J.-M. KERN
Keyword(s):  
Macrocyclic Ligands ◽  
Templated Synthesis

scholarly journals A Holistic Approach to Determining Stereochemistry of Potential Pharmaceuticals by Circular Dichroism with β-Lactams as Test Cases

2021 ◽  
Vol 23 (1) ◽  
pp. 273
Author(s):  
Marcin Górecki ◽  
Jadwiga Frelek
Keyword(s):  
Circular Dichroism ◽  
Absolute Configuration ◽  
Holistic Approach ◽  
Spectroscopic Properties ◽  
Structural Features ◽  
Test Cases ◽  
X Ray Crystallography ◽  
Depth Analysis ◽  
Solvation Models ◽  
Circular Dichroïsm

This paper’s main objective is to show that many different factors must be considered when solving stereochemical problems to avoid misleading conclusions and obtain conclusive results from the analysis of spectroscopic properties. Particularly in determining the absolute configuration, the use of chiroptical methods is crucial, especially when other techniques, including X-ray crystallography, fail, are not applicable, or give inconclusive results. Based on various β-lactam derivatives as models, we show how to reliably determine their absolute configuration (AC) and preferred conformation from circular dichroism (CD) spectra. Comprehensive CD analysis, employing both approaches, i.e., traditional with their sector and helicity rules, and state-of-the-art supported by quantum chemistry (QC) calculations along with solvation models for both electronic (ECD) and vibrational (VCD) circular dichroism ranges, allows confident defining stereochemistry of the b-lactams studied. Based on an in-depth analysis of the results, we have shown that choosing a proper chiroptical method/s strictly depends on the specific case and certain structural features.

Synthese und Charakterisierung von 1,3,5-Hexahydrotriazin-Komplexen des Moo und MoVI / Synthesis and Characterization of 1,3,5-Hexahydrotriazine Complexes of Mo0 and M oVI

1995 ◽  
Vol 50 (7) ◽  
pp. 1038-1044 ◽  
Author(s):  
Hans Schumann
Keyword(s):  
Mass Spectroscopy ◽  
Spectroscopic Properties ◽  
Macrocyclic Ligands ◽  
Synthesis And Characterization ◽  
Controlled Conditions ◽  
Ligand Displacement ◽  
High Yields

Organo-substituted 1,3,5-hexahydrotriazine complexes of the type (RNCH2)3Mo(CO)3 (R = CH3, i - C3H7 and CH2C6H5) are obtained by ligand displacement from η6-C7H8Mo(CO)3 in high yields. These products have been characterized by 1H, 13C, 95Mo NMR, IR as well as mass spectroscopy and contain an electron-rich Mo(C O)3 center bonded to the 1,3,5-hexahydrotriazine 6e donor via three Mo -N bonds. Oxidation of the Mo0 complex 1,3,5-(CH3NCH2)3Mo(CO)3 with H2O2 under carefully controlled conditions allows isolation of 1,3,5-(CH3NCH2)3MoO3 containing a MoVI center. Chemical and spectroscopic properties of these complexes are compared with those of related Mo complexes with neutral macrocyclic ligands containing N3 donor sets.

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