Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration

2018 ◽  
Vol 20 (35) ◽  
pp. 22730-22738 ◽  
Author(s):  
Shen Li ◽  
Giacomo Saielli ◽  
Yanting Wang
Keyword(s):  
Ionic Liquid ◽  
Liquid Crystal ◽  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
Md Simulation ◽  
Solvent Polarity ◽  
Solute Concentration ◽  
Aggregation Behavior ◽  
Dosy Nmr ◽  
Influence Of Solvent

Solutions of dihexadecylviologen bistriflimide in deuterated ACN, DCM and CDCl3, respectively, were investigated by the combination of 1H and DOSY NMR spectroscopy, DFT calculations and MD simulation to understand the influence of solvent polarity and solute concentration (10−5–10−1 M) on its aggregation behavior.

Solvation chemistry of water-soluble thiol-protected gold nanocluster Au102 from DOSY NMR spectroscopy and DFT calculations

Nanoscale ◽  
2014 ◽  
Vol 6 (14) ◽  
pp. 7823-7826 ◽  
Author(s):  
Kirsi Salorinne ◽  
Tanja Lahtinen ◽  
Sami Malola ◽  
Jaakko Koivisto ◽  
Hannu Häkkinen
Keyword(s):  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
Aqueous Media ◽  
Apparent Size ◽  
Water Soluble ◽  
Hydrodynamic Diameter ◽  
Gold Nanocluster ◽  
Counter Ion ◽  
Dosy Nmr

The hydrodynamic diameter of Aum(pMBA)n clusters in aqueous media was determined by DOSY NMR spectroscopy. The apparent size of the cluster was shown to depend on the counter ion of the deprotonated pMBA− ligand.

Influence of solvent polarity on the dual fluorescence of p-N,N-dimethylaminobenzonitrile: An AM1 theoretical study

1990 ◽  
Vol 55 (8) ◽  
pp. 1891-1895 ◽  
Author(s):  
Peter Ertl
Keyword(s):  
Excited State ◽  
Theoretical Study ◽  
Solvent Polarity ◽  
Semiempirical Method ◽  
Dual Fluorescence ◽  
Long Wavelength ◽  
Polar Media ◽  
Wavelength Emission ◽  
Ground State Geometry ◽  
Influence Of Solvent

Twisting of the NMe2 group in p-N,N-dimethylaminobenzonitrile (DMABN) was investigated using AM1 semiempirical method with configuration interaction. Effect of polar media was considered by placing + and - charge centers ("sparkles") at appropriate places opposite the molecule. Optimized ground state geometry of DMABN is slightly twisted with the lowest vertical excited state of 1B character. As the polarity of media increases and/or the - NMe2 group twists, the symmetric 1A excited state having considerable charge separation becomes energetically favorable. Anomalous long-wavelength emission of DMABN comes from this state.

scholarly journals Photophysical Properties of Protoporphyrin IX, Pyropheophorbide-a, and Photofrin® in Different Conditions

2021 ◽  
Vol 14 (2) ◽  
pp. 138
Author(s):  
Bauyrzhan Myrzakhmetov ◽  
Philippe Arnoux ◽  
Serge Mordon ◽  
Samir Acherar ◽  
Irina Tsoy ◽  
...  
Keyword(s):  
Singlet Oxygen ◽  
Photophysical Properties ◽  
Protoporphyrin Ix ◽  
Fluorescence Emission ◽  
Solvent Polarity ◽  
Visible Absorption ◽  
Light Dosimetry ◽  
Time Resolved ◽  
Pyropheophorbide A ◽  
Influence Of Solvent

Photodynamic therapy (PDT) is an innovative treatment of malignant or diseased tissues. The effectiveness of PDT depends on light dosimetry, oxygen availability, and properties of the photosensitizer (PS). Depending on the medium, photophysical properties of the PS can change leading to increase or decrease in fluorescence emission and formation of reactive oxygen species (ROS) especially singlet oxygen (1O2). In this study, the influence of solvent polarity, viscosity, concentration, temperature, and pH medium on the photophysical properties of protoporphyrin IX, pyropheophorbide-a, and Photofrin® were investigated by UV-visible absorption, fluorescence emission, singlet oxygen emission, and time-resolved fluorescence spectroscopies.

Protic ammonium bio-based ionic liquid crystal lubricants

2021 ◽  
Vol 158 ◽  
pp. 106917
Author(s):  
M.D. Avilés ◽  
R. Pamies ◽  
J. Sanes ◽  
J. Arias-Pardilla ◽  
F.J. Carrión ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Liquid Crystal

scholarly journals Synthesis, characterization and modeling of self-assembled porphyrin nanorods

2019 ◽  
Vol 23 (11n12) ◽  
pp. 1346-1354 ◽  
Author(s):  
Danielle Laurencin ◽  
Pascal G. Yot ◽  
Christel Gervais ◽  
Yannick Guari ◽  
Sébastien Clément ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
Powder Diffraction ◽  
Solid State Nmr ◽  
Molecular Level ◽  
Ion Association ◽  
Free Base ◽  
X Ray ◽  
Solid State Nmr Spectroscopy

Porphyrin nanorods were prepared by ion-association between free-base meso 5,10,15,20-tetrakis-(4-[Formula: see text]-methylpyridinium)porphyrin cations and tetraphenylborate anions. The nanorods have variable lengths (up to a few micrometers long) and diameters ([Formula: see text]50–500 nm). Their structure at the molecular level was elucidated by combining multinuclear solid state NMR spectroscopy, synchrotron X-ray powder diffraction and DFT calculations.

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