Benzene-, Pyrrole-, and Furan-Containing Diametrically Strapped Calix[4]pyrroles-An Experimental and Theoretical Study of Hydrogen-Bonding Effects in Chloride Anion Recognition

2008 ◽  
Vol 120 (27) ◽  
pp. 5116-5120 ◽  
Author(s):  
Dae-Wi Yoon ◽  
Dustin E. Gross ◽  
Vincent M. Lynch ◽  
Jonathan L. Sessler ◽  
Benjamin P. Hay ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Study ◽  
Anion Recognition ◽  
Chloride Anion

scholarly journals Benzene-, Pyrrole-, and Furan-Containing Diametrically Strapped Calix[4]pyrroles-An Experimental and Theoretical Study of Hydrogen-Bonding Effects in Chloride Anion Recognition

2008 ◽  
Vol 47 (27) ◽  
pp. 5038-5042 ◽  
Author(s):  
Dae-Wi Yoon ◽  
Dustin E. Gross ◽  
Vincent M. Lynch ◽  
Jonathan L. Sessler ◽  
Benjamin P. Hay ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Study ◽  
Anion Recognition ◽  
Chloride Anion

Theoretical study of intramolecular hydrogen bonding and molecular geometry of 2-trifluoromethylphenol

10.1002/jcc.2 ◽  
1996 ◽  
Vol 17 (16) ◽  
pp. 1804-1819 ◽  
Author(s):  
Attila Kov�cs ◽  
Istv�n Kolossv�ry ◽  
G�bor I. Csonka ◽  
Istv�n Hargittai
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Study ◽  
Molecular Geometry ◽  
Intramolecular Hydrogen Bonding ◽  
Intramolecular Hydrogen

Synthesis of nickel selenites, their solubility and bonding in them

1982 ◽  
Vol 47 (8) ◽  
pp. 2069-2076 ◽  
Author(s):  
Miroslav Ebert ◽  
Zdeněk Mička ◽  
Ilona Peková
Keyword(s):  
Magnetic Properties ◽  
Hydrogen Bonding ◽  
Solubility Diagram ◽  
Reflectance Spectroscopy ◽  
Chloride Anion ◽  
Fluoride Anion ◽  
Infrared Absorption Spectroscopy ◽  
Magnetic Parameters ◽  
Nickel Cation ◽  
Spectrochemical Series

The solubility diagram of the NiSeO3-SeO2-H2O system at 25 °C was studied, and on its basis, Ni(HSeO3)2.2 H2O was prepared. This selenite and NiSeO3.2 H2O were investigated by infrared absorption spectroscopy and by electronic reflectance spectroscopy and their magnetic properties were determined. Based on the infrared spectra, the force constants of the selenium-oxygen bonds were determined and the hydrogen bonding was characterized. The electronic reflectance spectra and the magnetic parameters indicate an octahedral arrangement of the coordination sphere of the nickel cation and characterize the selenite anion as a ligand that in the spectrochemical series assumes a position between the fluoride anion and water and in the nephelauxetic series, between ethylenediamine and the chloride anion.

Theoretical study of hydrogen bonding interactions in substituted nitroxide radicals

2021 ◽  
Author(s):  
Thufail M. Ismail ◽  
Neetha Mohan ◽  
P. K. Sajith
Keyword(s):  
Hydrogen Bonding ◽  
Interaction Energy ◽  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Theoretical Study ◽  
Nitroxide Radicals ◽  
Hydrogen Bonding Interactions ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Interaction energy (Eint) of hydrogen bonded complexes of nitroxide radicals can be assessed in terms of the deepest minimum of molecular electrostatic potential (Vmin).

Theoretical Study of the Inter-ionic Hydrogen Bonding in the GZT Molecular System

2003 ◽  
Vol 50 (3B) ◽  
pp. 765-775 ◽  
Author(s):  
Cheng Chen ◽  
Min-Hsien Liu ◽  
Sou-Ro Cheng ◽  
Lung-Shing Wu
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Study ◽  
Molecular System ◽  
Ionic Hydrogen Bonding

scholarly journals Anion and pH dependent molecular motion by a halogen bonding [2]rotaxane

2019 ◽  
Vol 55 (67) ◽  
pp. 9975-9978 ◽  
Author(s):  
Harry A. Klein ◽  
Heike Kuhn ◽  
Paul D. Beer
Keyword(s):  
Molecular Motion ◽  
Anion Recognition ◽  
Colour Change ◽  
Halogen Bonding ◽  
Chloride Anion ◽  
Naked Eye ◽  
Ph Dependent

A halogen bonding [2]rotaxane undergoes macrocycle translocation only upon both protonation and chloride anion recognition, resulting in a naked-eye detectable colour change.

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