Molecular recognition in aqueous media: donor-acceptor and ion-dipole interactions produce tight binding for highly soluble guests

1988 ◽  
Vol 110 (6) ◽  
pp. 1983-1985 ◽  
Author(s):  
Timothy J. Shepodd ◽  
Michael A. Petti ◽  
Dennis A. Dougherty
Keyword(s):  
Molecular Recognition ◽  
Aqueous Media ◽  
Tight Binding ◽  
Dipole Interactions ◽  
Donor Acceptor

Enhancing Molecular Recognition in Electron Donor–Acceptor Hybrids via Cooperativity

2014 ◽  
Vol 136 (32) ◽  
pp. 11436-11443 ◽  
Author(s):  
Rafael M. Krick Calderon ◽  
Julián Valero ◽  
Bruno Grimm ◽  
Javier de Mendoza ◽  
Dirk M. Guldi
Keyword(s):  
Molecular Recognition ◽  
Electron Donor ◽  
Donor Acceptor

scholarly journals Introducing Selectivity on Carbonaceous Material: Removing Noble Salts, Au3+, and Ag+ from Aqueous Media by Nanodiamonds Functionalized with Squaramides

Materials ◽  
2020 ◽  
Vol 13 (5) ◽  
pp. 1086
Author(s):  
M. Susana Gutiérrez ◽  
Kenia A. López ◽  
Jeroni Morey ◽  
M. Nieves Piña
Keyword(s):  
Aqueous Media ◽  
Carbonaceous Material ◽  
Synthetic Process ◽  
Dipole Interactions ◽  
Organic Receptor

Nanodiamonds coated with dopamine−squaramide compounds have been prepared by a calcination/esterification synthetic process, which improves the efficiency of this carbonaceous material with respect to non-functionalized nanodiamonds. The modified nanodiamonds show excellent selective coordination of Ag+ and Au3+ cations in a Cd2+, Co2+, Cr3+, Cu2+, Pb2+, and Zn2+ mixture in water. The coordination capacity of the carbonyl squaramide groups with the silver and gold cation is based on purely electrostatic cation−dipole interactions. Overall, it is demonstrated that the conjunction between the nanodiamonds and the organic receptor improves the selectivity of the material toward noble cations.

Combined tight-binding/DFT investigation of the electronic structure of triimine-platinum(II)/TCNQ extended stacks,

2009 ◽  
Vol 87 (7) ◽  
pp. 775-783 ◽  
Author(s):  
Hassan Rabaâ ◽  
Thomas R. Cundari ◽  
Mohammad A. Omary
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Tight Binding ◽  
Negative Energy ◽  
Large Contribution ◽  
Redox Potentials ◽  
Absorption Bands ◽  
Metallic Behavior ◽  
Charge Delocalization ◽  
Donor Acceptor

. The [Pt(tbtrpy)(X)][TCNQ] (X = OH or SH) complexes form sandwich stacks with nitrile acceptors leading to extended-chain supramolecular assemblies, tbtrpy = 4,4′,4″-tert-Bu3-2,2′:6′,2″-terpyridine. Calculations with the extended Hückel tight-binding (EHTB) method are performed upon crystalline {[Pt (tbtrpy)(X)][TCNQ]}∞ species to analyze their electronic structure and consequent properties, TCNQ = 7,7,8,8-tetracyanoquinodimethane. The donor/acceptor extended chains in the solid state are predicted to exhibit metallic behavior with a large contribution from π and π* bands of TCNQ to the valence and conduction bands, respectively. Moreover, the valence band moves upward (i.e., to a less negative energy) for X = SH as compared to X = OH. Density functional theory (DFT) calculations suggest that this is due to large thiolate character in the HOMO of the square-planar donor complex, which also supports the experimental assignment of the electronic absorption bands and redox potentials. Calculations of infrared (νCN bands of TCNQ) and structural (CC bond lengths within TCNQ) data explain the metallic behavior of the stacks in terms of charge delocalization, leading to fractionally-charged species of the form [Pt(tbtrpy)X](1+δ)+[TCNQ](1+δ)- with δ > 0 and a greater δ value for X = SH vs OH.

Red‐Light‐Emitting System Based on Aggregation of Donor–Acceptor Derivatives in Polar Aqueous Media

2012 ◽  
Vol 7 (7) ◽  
pp. 1553-1557 ◽  
Author(s):  
Tsutomu Ishi‐i ◽  
Kei Ikeda ◽  
Yuki Kichise ◽  
Michiaki Ogawa
Keyword(s):  
Aqueous Media ◽  
Red Light ◽  
Light Emitting ◽  
Donor Acceptor

Molecular recognition of phenethylamine, tyramine and dopamine with new anionic cyclophanes in aqueous media

1997 ◽  
pp. 2113-2118 ◽  
Author(s):  
Michiko B. Inoue ◽  
Enrique F. Velazquez ◽  
Motomichi Inoue ◽  
Quintus Fernando
Keyword(s):  
Molecular Recognition ◽  
Aqueous Media
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