scholarly journals Chiroptical inversion of a planar chiral redox-switchable rotaxane

2019 ◽  
Vol 10 (43) ◽  
pp. 10003-10009 ◽  
Author(s):  
Marius Gaedke ◽  
Felix Witte ◽  
Jana Anhäuser ◽  
Henrik Hupatz ◽  
Hendrik V. Schröder ◽  
...  
Keyword(s):  
Crown Ether ◽  
Dft Calculations ◽  
Sign Reversal ◽  
Main Band ◽  
Reversible Redox ◽  
Redox Switching

Reversible redox-switching of a planar chiral [2]rotaxane with a tetrathiafulvalene-bearing crown ether macrocycle generates a complete sign reversal of the main band in the ECD spectrum, as shown by experiment and rationalised by DFT calculations.

scholarly journals In situ reversible redox switching of first hyperpolarizability of bimetallic ruthenium complexes

2019 ◽  
Vol 21 (21) ◽  
pp. 11079-11086 ◽  
Author(s):  
C. Karthika ◽  
S. R. Sarath Kumar ◽  
L. Kathuria ◽  
P. K. Das ◽  
A. G. Samuelson
Keyword(s):  
Ruthenium Complexes ◽  
First Hyperpolarizability ◽  
Bimetallic Complex ◽  
Reversible Redox ◽  
Redox Switching

Reversible redox switching of first hyperpolarizability of Monometallic and bimetallic complex.

scholarly journals Molecular cleft or tweezer compounds derived from trioxabicyclo[3.3.1]nonadiene diisocyanate and diacid dichloride

2015 ◽  
Vol 11 ◽  
pp. 1-8 ◽  
Author(s):  
Gert Kollenz ◽  
Ralf Smounig ◽  
Ferdinand Belaj ◽  
David Kvaskoff ◽  
Curt Wentrup
Keyword(s):  
Rare Earth ◽  
Crown Ether ◽  
Dft Calculations ◽  
Metal Ions ◽  
Rare Earth Metal ◽  
Alkaline Earth ◽  
Earth Metal ◽  
X Ray ◽  
X Ray Crystallography ◽  
Derivatives Of

The structures of two derivatives of the bisdioxine diisocyanate 1, the bisurea 4 and the biscarbamate 5, are established by X-ray crystallography and DFT calculations. These compounds possess endo,endo structures, in the case of the bisurea 4 with two nearly parallel pendant chains. The X-ray structures are reproduced very well by DFT calculations. Similar endo,endo conformations are calculated for the bisamide crown ether derivatives 7, where two proximate and nearly parallel crown ether units endow the molecules with a claw-like molecular cleft or tweezer structure as evidenced by an enhanced ability to extract some alkali, alkaline earth and rare earth metal ions.

Reversible redox switching in polypyrrole and poly-SNS films

1997 ◽  
Vol 84 (1-3) ◽  
pp. 183-184 ◽  
Author(s):  
T.F. Otero ◽  
S. Villanueva ◽  
M. Bengoechea ◽  
E. Brillas ◽  
J. Carrasco
Keyword(s):  
Reversible Redox ◽  
Redox Switching

scholarly journals Reversible redox switching of magnetic order and electrical conductivity in a 2D manganese benzoquinoid framework

2019 ◽  
Vol 10 (17) ◽  
pp. 4652-4661 ◽  
Author(s):  
Lujia Liu ◽  
Jordan A. DeGayner ◽  
Lei Sun ◽  
David Z. Zee ◽  
T. David Harris
Keyword(s):  
Electrical Conductivity ◽  
Magnetic Order ◽  
Reversible Redox ◽  
Redox Switching

We report a 2D manganese benzoquinoid network that undergoes simultaneous redox switching of magnetic order and electrical conductivity.

ChemInform Abstract: Synthesis, Structures and DFT Calculations on Alkaline-Earth Metal Azide-Crown Ether Complexes.

ChemInform ◽  
2008 ◽  
Vol 39 (22) ◽  
Author(s):  
Michael D. Brown ◽  
Martin F. Davis ◽  
John M. Dyke ◽  
Francesco Ferrante ◽  
William Levason ◽  
...  
Keyword(s):  
Crown Ether ◽  
Dft Calculations ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Metal Azide ◽  
Crown Ether Complexes

The simultaneous recognition mechanism of cations and anions using macrocyclic–iodine structures: insights from dispersion-corrected DFT calculations

2020 ◽  
Vol 22 (41) ◽  
pp. 23795-23803
Author(s):  
Renato Pereira Orenha ◽  
Glaucio Régis Nagurniak ◽  
Matheus Cachoeira Colaço ◽  
Giovanni Finoto Caramori ◽  
Maurício Jeomar Piotrowski ◽  
...  
Keyword(s):  
Crown Ether ◽  
Dft Calculations ◽  
Recognition Mechanism

The design of structures to recognize ions is growing in recent years. Here, the simultaneous recognition of cations and anions by a macrocycle comprising a simple crown ether and an iodine-triazole unit has been investigated using DFT calculations.

scholarly journals Impact of mechanical bonding on the redox-switching of tetrathiafulvalene in crown ether–ammonium [2]rotaxanes

2017 ◽  
Vol 8 (9) ◽  
pp. 6300-6306 ◽  
Author(s):  
Hendrik V. Schröder ◽  
Sebastian Sobottka ◽  
Maite Nößler ◽  
Henrik Hupatz ◽  
Marius Gaedke ◽  
...  
Keyword(s):  
Crown Ether ◽  
Redox Active ◽  
Redox Switching ◽  
Mechanical Bonding

Switchable crown ether–ammonium [2]rotaxanes with a redox-active tetrathiafulvalene (TTF) unit implemented in their wheels were synthesised and fully characterised.

Reversible Redox Switching of Concurrent Luminescence and Visual Color Change Based on Lanthanide Metallogel

Langmuir ◽  
2019 ◽  
Vol 35 (47) ◽  
pp. 15344-15351 ◽  
Author(s):  
Qi Zhou ◽  
Xuelin Dong ◽  
Jianhui Yuan ◽  
Binbin Zhang ◽  
Shan Lu ◽  
...  
Keyword(s):  
Color Change ◽  
Reversible Redox ◽  
Visual Color ◽  
Redox Switching
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