A novel fluorescent chemosensor for Cu2+ ion based on a new hexadentate ligand receptor: X-ray single crystal of the perchlorate salt of the ligand, ion selectivity assays and TD-DFT study

2021 ◽  
Vol 515 ◽  
pp. 120061
Author(s):  
Reza Golbedaghi ◽  
Licínia L.G. Justino ◽  
Marzyeh Bahrampour ◽  
Rui Fausto
2015 ◽  
Vol 1093 ◽  
pp. 39-48 ◽  
Author(s):  
Anuja P. Ware ◽  
Amit Patil ◽  
Sonali Khomane ◽  
Thomas Weyhermüller ◽  
Subhash S. Pingale ◽  
...  
Keyword(s):  
X Ray ◽  

2017 ◽  
Vol 46 (46) ◽  
pp. 16145-16158 ◽  
Author(s):  
Fu-Qiang Zhang ◽  
Jin-Ping Gao ◽  
Li-Kai Yan ◽  
Wei Guan ◽  
Ru-Xin Yao ◽  
...  

Different behaviors of two Wells–Dawson (WD) species and their proton inclusion energies were revealed by DFT calculations and verified by X-ray single crystal diffraction studies.


2011 ◽  
Vol 991 (1-3) ◽  
pp. 73-78 ◽  
Author(s):  
Ryo Miyamoto ◽  
Jun Kawakami ◽  
Rie Ohtake ◽  
Masahiko Nagaki ◽  
Shunji Ito

Author(s):  
Mohammad Misbah Khunur ◽  
Yuniar Ponco Prananto

Cobalt(II)-tartrate hydrate coordination polymer is successfully crystallisedfrom aqueous solution at room temperature. Unlike previous methods, diammonium tartrate was used and reacted directly with an aqueous solution of cobalt(II). Single crystal X-ray and ATR-IR analyses were performed toward the synthesized crystal. The crystal structure displaysa (6,3) 2D sheet which then grow into a 3D hydrogen-bonded network. Tetra- and hexa-dentate dianionic tartaric ligands are observed in the crystal structure, in which the hexadentate ligand connects four different cobalt centres. This method is considered feasible, affordable, and simple for the production of functional polymeric cobalt(II)-tartrate hydrate. Copyright © 2018 BCREC Group. All rights reservedReceived: 17th July 2017; Revised: 30th October 2017; Accepted: 30th October 2017; Available online:   11st June 2018; Published regularly: 1st August 2018How to Cite: Khunur, M.M., Prananto, Y.P. (2018). Synthesis and Structure of 2D Cobalt(II)-tartrate Hydrate Coordination Polymers Crystallised from Aqueous Solution. Bulletin of Chemical Reaction Engineering & Catalysis, 13 (2): 213-219 (doi:10.9767/bcrec.13.2.1342.213-219)


Author(s):  
Bhausaheb Dhokale ◽  
Indresh Singh Yadav ◽  
Shaikh M. Mobin ◽  
Rajneesh Misra

Thioether linked meso BODIPY DYEmer 3 was synthesized by two different routes. The reaction of dipyrrothioketone 1 and 8-chloro BODIPY 2 in the presence of triethylamine followed by complexation with [Formula: see text] resulted in thioether linked meso functionalized BODIPY DYEmer 3. Using another route, the reaction of 8-chloro BODIPY 2 with sodium hydrosulphide (NaSH) at room temperature resulted in the thioether linked meso BODIPY DYEmer 3. The DYEmer 3 was characterized by 1H, [Formula: see text]C, [Formula: see text]B, [Formula: see text]F NMR, HRMS, and single crystal X-ray crystallography. The properties of DYEmer 3 was compared with the previously reported thioether linked [Formula: see text] and [Formula: see text] BODIPY DYEmers 4 and 5. The structural parameters indicating the intramolecular arrangements of two BODIPY units of DYEmer were compared and corelated with the observed properties. The time-dependent DFT (TD-DFT) calculations suggested that the thioether group at meso position of BODIPY 3 stabilizes the LUMO energy than 8-chloro BODIPY 2. Compared to 8-chloro BODIPY 2 the HOMO-1 of DYEmer 3 is destabilized whereas the LUMO+1 is stabilized.


2017 ◽  
Vol 121 (37) ◽  
pp. 6942-6948 ◽  
Author(s):  
Shufeng Chen ◽  
Xiaojun Hu ◽  
Yuanyi Li

Sign in / Sign up

Export Citation Format

Share Document