scholarly journals Unveiling the nature of supramolecular crown ether–C60 interactions

2015 ◽  
Vol 6 (8) ◽  
pp. 4426-4432 ◽  
Author(s):  
Luis Moreira ◽  
Joaquín Calbo ◽  
Rafael M. Krick Calderon ◽  
José Santos ◽  
Beatriz M. Illescas ◽  
...  
Keyword(s):  

Preparation of exTTF-(crown ether)2 receptors, which host C60, to understand the nature of the fullerene–crown ether interaction. A combination of experimental and in silico studies suggest that it results from the interplay of donor–acceptor, ð–ð , n–ð and CH•••ð interactions.

2020 ◽  
Author(s):  
Venkatesan Thimmakondu ◽  
Krishnan Thirumoorthy

Novel flat crown ether molecules have been characterized in silico using DFT hybrid and hybrid-meta functionals. Monomer units of Si2C3 with a planar tetracoordinate carbon atom have been used as building blocks. Alkali (Li+, Na+, K+, Rb+, and Cs+) and alkaline-earth (Ca2+, Sr2+, and Ba2+) metals, and uranyl (UO2+ 2 ) ion selective complexes have also been theoretically identified. The high symmetry and higher structural rigidity of the host molecules may likely to impart higher selectivity in chelation. Theoretical binding energies have been computed and experimental studies are invited.


2020 ◽  
Author(s):  
Yongli Duan ◽  
Haiquan Zhao ◽  
GuoDong Xue ◽  
Ze Wang ◽  
Chaoyue Xiong ◽  
...  

Abstract Photoresponsive molecules with more than two intrinsic stationary states are very Interesting. Here, we demonstrate a series of crown ether (CE) substituted donor-acceptor Stenhouse adducts (DASAs) that can be switched between three stationary states under orthogonal control of light and metal ions. DASA-CE molecules are self-assembled into 1:1 head-to-tail supramolecular structures to form di-linear states due to strong van der Waals interactions between electron-donating and -withdrawing moieties. Furthermore, treatment with metal ions (Na+ or K+) switches the di-linear back to the linear state, which is reversible after adding free crown ether. On the other hand, green light irradiation induces linear-to-cyclic isomerization of DASA-CE, while the photoisomerization from di-linear to cyclic state is inhibited. The reverse cyclic-to-linear isomerization can occur under heating in the dark. All in all, the orthogonal switching of DASA-CE between di-linear, linear and cyclic states enables the development of smart materials in environments with complex stimuli.


2018 ◽  
Vol 54 (11) ◽  
pp. 1351-1354 ◽  
Author(s):  
Whitney A. Webre ◽  
Habtom B. Gobeze ◽  
Shuai Shao ◽  
Paul A. Karr ◽  
Katsuhiko Ariga ◽  
...  

Floride anion binding triggers ultrafast charge separation in a four component supramolecular donor–acceptor assembly.


2017 ◽  
Vol 30 (5-6) ◽  
pp. 425-429
Author(s):  
Tetsuo Kuwabara ◽  
Shin-nosuke Machida ◽  
Ryota Satake

1989 ◽  
Vol 28 (10) ◽  
pp. 1394-1395 ◽  
Author(s):  
Jean-Yves Ortholand ◽  
Alexandra M. Z. Slawin ◽  
Neil Spencer ◽  
J. Fraser Stoddart ◽  
David J. Williams
Keyword(s):  

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