A sandwich anion receptor by a BODIPY dye bearing two calix[4]pyrrole units

2011 ◽  
Vol 65 (4) ◽  
Author(s):  
Yongjun Lv ◽  
Jian Xu ◽  
Yong Guo ◽  
Shijun Shao
Keyword(s):  
Hydrogen Bonding ◽  
Fluorescence Quenching ◽  
Absorption Spectra ◽  
Emission Peak ◽  
Red Shift ◽  
Absorption Peak ◽  
Anion Receptor ◽  
Sandwich Complex ◽  
Hydrogen Bonding Interactions ◽  
Multiple Hydrogen Bonding

AbstractA novel dicalix[4]pyrrolyl-substituted 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) dye I with an absorption peak at approximately 670 nm and an emission peak at about 690 nm was prepared. As an anion receptor, I displayed a red shift in absorption spectra and fluorescence quenching in varying degrees in the presence of F−, AcO−, H2PO4−, or Cl−. Compared with the parent calix[4]pyrrole, a representative anion receptor, I exhibited a stronger affinity to these anions due to the formation of a sandwich complex through multiple hydrogen-bonding interactions.

A New Two-Armed Colorimetric Chemosensor for Fluoride

2005 ◽  
Vol 58 (1) ◽  
pp. 53 ◽  
Author(s):  
Jin-Long Wu ◽  
Yong-Bing He ◽  
Lan-Hua Wei ◽  
Ling-Zhi Meng ◽  
Ting-Xian Yang ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
1H Nmr Spectroscopy ◽  
Colour Change ◽  
High Yield ◽  
Anion Receptor ◽  
Binding Properties ◽  
Easy Method ◽  
Colorimetric Chemosensor ◽  
Hydrogen Bonding Interactions ◽  
Multiple Hydrogen Bonding

The neutral anion receptor 1 was synthesized by an easy method with high yield. The binding properties of anions with 1 were examined by UV-vis and 1H NMR spectroscopy. Receptor 1 can form a 1 : 2 complex with F−, and 1 : 1 complexes with AcO− and H2PO4− anions, respectively, by multiple hydrogen-bonding interactions. There is an observable colour change for the complex formed by 1 and F−.

Exclusive Recognition of Acetone in a Luminescent BioMOF through Multiple Hydrogen-Bonding Interactions

2019 ◽  
Vol 58 (12) ◽  
pp. 7667-7671 ◽  
Author(s):  
Yong-Liang Huang ◽  
Pei-Li Qiu ◽  
Jian-Ping Bai ◽  
Dong Luo ◽  
Weigang Lu ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonding Interactions ◽  
Multiple Hydrogen Bonding

scholarly journals Simulating Absorption Spectra of Flavonoids in Aqueous Solution: A Polarizable QM/MM Study

Molecules ◽  
2020 ◽  
Vol 25 (24) ◽  
pp. 5853
Author(s):  
Sulejman Skoko ◽  
Matteo Ambrosetti ◽  
Tommaso Giovannini ◽  
Chiara Cappelli
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Hydrogen Bonding ◽  
Force Field ◽  
Absorption Spectra ◽  
Computational Study ◽  
Md Simulations ◽  
Quantum Mechanical ◽  
Hydrogen Bonding Interactions

We present a detailed computational study of the UV/Vis spectra of four relevant flavonoids in aqueous solution, namely luteolin, kaempferol, quercetin, and myricetin. The absorption spectra are simulated by exploiting a fully polarizable quantum mechanical (QM)/molecular mechanics (MM) model, based on the fluctuating charge (FQ) force field. Such a model is coupled with configurational sampling obtained by performing classical molecular dynamics (MD) simulations. The calculated QM/FQ spectra are compared with the experiments. We show that an accurate reproduction of the UV/Vis spectra of the selected flavonoids can be obtained by appropriately taking into account the role of configurational sampling, polarization, and hydrogen bonding interactions.

Molecular interactions in the spectra of diaza-aromatics

1974 ◽  
Vol 27 (8) ◽  
pp. 1613 ◽  
Author(s):  
JR Honner ◽  
PR Nott ◽  
BK Selinger
Keyword(s):  
Hydrogen Bonding ◽  
Absorption Spectra ◽  
Molecular Interactions ◽  
Electronic Absorption ◽  
Low Temperatures ◽  
Electronic Absorption Spectra ◽  
Polar Solvents ◽  
Hydrogen Bonding Interactions ◽  
Low Concentrations

A reported variation of the electronic absorption spectra of diaza-aromatics in non-polar solvents with temperature appears to be explicable in terms of three effects. Hydrogen bonding interactions occur in all but exhaustively dried non-polar solvents. Microcrystals form readily at low temperatures at even quite low concentrations (c. 10-5M). The solutions are sensitive to exposure to light. The diaza-aromatics undergo photochemical change forming, in some cases, photoadducts with the solvent.

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