Photoinduced electron transfer in nanotube⊃C70 inclusion complexes: phenine vs. nanographene nanotubes

2020 ◽  
Vol 56 (83) ◽  
pp. 12624-12627
Author(s):  
Anton J. Stasyuk ◽  
Olga A. Stasyuk ◽  
Miquel Solà ◽  
Alexander A. Voityuk
Keyword(s):  
Electron Transfer ◽  
Electronic Properties ◽  
Inclusion Complexes ◽  
Photoinduced Electron Transfer ◽  
Guest Molecules ◽  
Vacancy Defects

The six-atom vacancy defects regularly located throughout the nanotubes change the electronic properties of their inclusion complexes with fullerene and prevent the photoinduced electron transfer between host and guest molecules.

Photoinduced electron transfer in Nano-Saturn complexes of fullerene

2020 ◽  
Author(s):  
Olga A. Stasyuk ◽  
Anton J Stasyuk ◽  
Miquel Solà ◽  
Alexander Voityuk
Keyword(s):  
Electron Transfer ◽  
Inclusion Complexes ◽  
Photoinduced Electron Transfer ◽  
Aromatic Rings ◽  
Shaped Inclusion

The photoinduced electron transfer is studied computationally in several Saturn-shaped inclusion complexes of carbo-aromatic rings and C60 fullerene – C72⊃C60, C96⊃C60, C120⊃C60, and C168⊃C60. Analysis of their structural and electronic...

Photoinduced electron transfer in paraquat inclusion complexes of porphyrin-based receptors

2003 ◽  
Vol 27 (3) ◽  
pp. 551-559 ◽  
Author(s):  
Lucia Flamigni ◽  
Anna Maria Talarico ◽  
Maxwell J. Gunter ◽  
Martin R. Johnston ◽  
Tyrone P. Jeynes
Keyword(s):  
Electron Transfer ◽  
Inclusion Complexes ◽  
Photoinduced Electron Transfer

Synthesis, the electronic properties and efficient photoinduced electron transfer of new pyrrolidine[60]fullerene- and isoxazoline[60]fullerene-BODIPY dyads: nitrile oxide cycloaddition under mild conditions using PIFA

2017 ◽  
Vol 41 (17) ◽  
pp. 9061-9069 ◽  
Author(s):  
Andrea Cabrera-Espinoza ◽  
Braulio Insuasty ◽  
Alejandro Ortiz
Keyword(s):  
Electron Transfer ◽  
Electronic Properties ◽  
Photoinduced Electron Transfer ◽  
Nitrile Oxide ◽  
Mild Conditions ◽  
Better Than

The first synthesis of fulleroisoxazoline-BODIPY whose electron-accepting ability of the C60 cage is better than its fulleropyrrolidine-BODIPY counterpart.

Photoinduced electron transfer in supramolecular assemblies involving saddle-distorted porphyrins and phthalocyanines

2009 ◽  
Vol 13 (01) ◽  
pp. 14-21 ◽  
Author(s):  
Takahiko Kojima ◽  
Tatsuaki Nakanishi ◽  
Tatsuhiko Honda ◽  
Shunichi Fukuzumi
Keyword(s):  
Electron Transfer ◽  
Photoinduced Electron Transfer ◽  
Lone Pair ◽  
Supramolecular Assembly ◽  
Metal Center ◽  
Supramolecular Assemblies ◽  
Channel Structure ◽  
Zinc Phthalocyanine ◽  
Lewis Acidity ◽  
Guest Molecules

Unique supramolecular assemblies are constructed based on a saddle-distorted non-planar porphyrin, dodecaphenylporphyrin ( H 2 DPP ), and its metal complexes. The saddle distortion facilitates protonation of pyrrole nitrogens to afford a stable diprotonated porphyrin, which can act as an electron acceptor. A diprotonated hydrochloride salt of a saddle-distorted dodecaphenylporphyrin ([ H 4 DPP ] Cl 2) forms a nano-sized channel structure called a "porphyrin nanochannel". Electron-donating molecules such as hydroquinones are included as guest molecules in the porphyrin nanochannel. Photoinduced electron transfer from the guest molecules to the singlet state of H 4 DPP 2+ occurs, producing H 4 DPP +• and cation radicals of the guest molecules. The saddle distortion also results in higher Lewis acidity at a metal center to maintain axial coordination of ligands, due to poor overlap of the lone-pair orbitals with the d orbitals of the metal center. By taking advantage of saddle distortion of both H 4 DPP 2+ and zinc phthalocyanine, 1,4,8,11,15,18,22,25-octaphenylphthalocyanine ( ZnOPPc ), a discrete supramolecular assembly composed of H 4 DPP 2+ and ZnOPPc , is obtained using 4-pyridinecarboxylate (4-PyCOO-) that connects the two components by hydrogen bonding and coordination bonding, respectively. Photoexcitation of the assembly results in efficient electron transfer from ZnOPPc to H 4 DPP 2+ in the supramolecular complex.

Computationally Assisted Design of High Signal-to-Noise Photoinduced Electron Transfer-Based Voltage-Sensitive Dyes

2020 ◽  
Author(s):  
Rishikesh Kulkarni ◽  
Anneliese Gest ◽  
Chun Kei Lam ◽  
Benjamin Raliski ◽  
Feroz James ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Dft Calculations ◽  
Photoinduced Electron Transfer ◽  
Density Functional ◽  
Embryonic Stem ◽  
High Sensitivity ◽  
Md Simulations ◽  
High Signal ◽  
Signal To Noise ◽  
Green Fluorescent

<p>High signal-to-noise optical voltage indicators will enable simultaneous interrogation of membrane potential in large ensembles of neurons. However, design principles for voltage sensors with high sensitivity and brightness remain elusive, limiting the applicability of voltage imaging. In this paper, we use molecular dynamics (MD) simulations and density functional theory (DFT) calculations to guide the design of a bright and sensitive green-fluorescent voltage-sensitive fluorophore, or VoltageFluor (VF dye), that uses photoinduced electron transfer (PeT) as a voltage-sensing mechanism. MD simulations predict an 11% increase in sensitivity due to membrane orientation, while DFT calculations predict an increase in fluorescence quantum yield, but a decrease in sensitivity due to a decrease in rate of PeT. We confirm these predictions by synthesizing a new VF dye and demonstrating that it displays the expected improvements by doubling the brightness and retaining similar sensitivity to prior VF dyes. Combining theoretical predictions and experimental validation has resulted in the synthesis of the highest signal-to-noise green VF dye to date. We use this new voltage indicator to monitor the electrophysiological maturation of human embryonic stem cell-derived medium spiny neurons. </p>

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