Closed-shell ion pair structure and dynamics: steady-state 1H{1H}, 10B{1H}, and 11B{1H} nuclear Overhauser effects and 10B, 11B nuclear relaxation of tetraalkylammonium tetrahydridoborates in ion-pairing and dissociative solvents

1993 ◽  
Vol 115 (24) ◽  
pp. 11084-11091 ◽  
Author(s):  
Thomas C. Pochapsky ◽  
An Ping Wang ◽  
Patricia M. Stone
Keyword(s):  
Steady State ◽  
Ion Pairing ◽  
Closed Shell ◽  
Ion Pair ◽  
Nuclear Relaxation ◽  
Structure And Dynamics ◽  
Nuclear Overhauser ◽  
Nuclear Overhauser Effects

Steady-State Spectroscopy to Single Out the Contact Ion Pair in Excited-State Proton Transfer

2021 ◽  
Vol 12 (6) ◽  
pp. 1683-1689
Author(s):  
Alexander Grandjean ◽  
J. Luis Pérez Lustres ◽  
Stephan Muth ◽  
Daniel Maus ◽  
Gregor Jung
Keyword(s):  
Excited State ◽  
Steady State ◽  
Proton Transfer ◽  
Ion Pair ◽  
Contact Ion Pair ◽  
Excited State Proton Transfer

Kinetics of Ion-Pair Effect of Aquation of Bromopentaammine Cobalt(III) Complex in Different Dicarboxylate Media

2011 ◽  
Vol 324 ◽  
pp. 166-169 ◽  
Author(s):  
Farah Zeitouni ◽  
Gehan El-Subruiti ◽  
Ghassan Younes ◽  
Mohammad Amira
Keyword(s):  
Free Energy ◽  
Solvent Effect ◽  
Compensation Effect ◽  
Ion Pairing ◽  
Reaction Rates ◽  
Ion Pair ◽  
Free Energy Of Activation ◽  
Different Types ◽  
Different Temperatures ◽  
Kinetics Of

The rate of aquation of bromopentaammine cobalt(III) ion in the presence of different types of dicarboxylate solutions containing tert-butanol (40% V/V) have been measured spectrophotometrically at different temperatures (30-600°C) in the light of the effects of ion-pairing on reaction rates and mechanism. The thermodynamic and extrathermodynamic parameters of activation have been calculated and discussed in terms of solvent effect on the ion-pair aquation reaction. The free energy of activation ∆Gip* is more or less linearly varied among the studied dicarboxylate ion-pairing ligands indicating the presence of compensation effect between ∆Hip* and ∆Sip*. Comparing the kip values with respect of different buffers at 40% of ter-butanol is introduced.

Thermodynamics of Protonation and Sodium Binding of Sulfate in Concentrated NaCl and CsCl Solutions Studied by Raman Spectroscopy

2000 ◽  
Vol 53 (5) ◽  
pp. 363 ◽  
Author(s):  
Steven Kratsis ◽  
Glenn Hefter ◽  
Peter M. May ◽  
Pal Sipos
Keyword(s):  
Raman Spectroscopy ◽  
Excellent Agreement ◽  
Thermodynamic Data ◽  
Association Constant ◽  
Protonation Constant ◽  
Ion Pairing ◽  
Ion Pair ◽  
Enthalpy And Entropy Changes ◽  
Enthalpy And Entropy ◽  
Sodium Binding

The protonation constant (pKa) of SO42–(aq) has been determined at ionic strengths 0.5 M ≤I ≤4.0 M in NaCl and CsCl media at 25˚C by using Raman spectroscopy. These data were used to calculate the association constant of the NaSO4–(aq) ion pair in CsCl media. The results are in excellent agreement with previous values obtained by other techniques. The (pKa) was also measured at I = 4 M in both media at temperatures up to 85˚C and the associated enthalpy and entropy changes were calculated. However, reliable thermodynamic data for the ion-pairing reaction could not be obtained at higher temperatures probably because of competition from CsSO4–(aq).

scholarly journals NMR solution conformation of heparin-derived tetrasaccharide

1996 ◽  
Vol 318 (1) ◽  
pp. 93-102 ◽  
Author(s):  
Dmitri MIKHAILOV ◽  
Kevin H. MAYO ◽  
Ioncho R. VLAHOV ◽  
Toshihiko TOIDA ◽  
Azra PERVIN ◽  
...  
Keyword(s):  
Chair Conformation ◽  
Coupling Constants ◽  
Solution Conformation ◽  
1H And 13C Nmr ◽  
Small Deviations ◽  
J Coupling Constants ◽  
Nuclear Overhauser ◽  
Nuclear Overhauser Effects ◽  
Dynamics Simulations ◽  
Ring Conformations

The solution conformation of the homogeneous, heparin-derived tetrasaccharide ΔUA2S(1 → 4)-α-d-GlcNpS6S(1 → 4)-α-l-IdoAp2S(1 → 4)-α-d-GlcNpS6S (residues A, B, C and D respectively, where IdoA is iduronic acid) has been investigated by using 1H- and 13C-NMR. Ring conformations have been defined by J-coupling constants and inter-proton nuclear Overhauser effects (NOEs), and the orientation of one ring with respect to the other has been defined by inter-ring NOEs. NOE-based conformational modelling has been done by using the iterative relaxation matrix approach (IRMA), restrained molecular dynamics simulations and energy minimization to refine structures and to distinguish between minor structural differences and equilibria between various ring forms. Both glucosamine residues B and D are in the 4C1 chair conformation. The 6-O-sulphate group is oriented in the gauche–trans configuration in the D ring, whereas in the B ring the gauche–gauche rotomer predominates. Uronate (A) and iduronate (C) residues are mostly represented by 1H2 and 2S0 twisted boat forms, respectively, with small deviations in expected coupling constants and NOEs suggesting minor contributions from other A and C ring conformations.

Structure assignment of some 3,4′-diquinolinyl sulfides studied by Nuclear Overhauser Effects, X-ray analysis and reactions with sodium methoxide

2010 ◽  
Vol 109 (10) ◽  
pp. 509-514 ◽  
Author(s):  
Stanislaw Boryczka ◽  
Andrzej Maślankiewicz ◽  
Miroslaw Wyszomirski ◽  
Teresa Borowiak ◽  
Maciej Kubicki
Keyword(s):  
Sodium Methoxide ◽  
X Ray ◽  
Nuclear Overhauser ◽  
Nuclear Overhauser Effects ◽  
Structure Assignment

scholarly journals Reversed-Phase Ion-Pair Liquid Chromatographic Determination of Chlorophacinone and Diphacinone in Steam- Rolled Oat Baits and Steam-Rolled Oat/Wax Baits

1998 ◽  
Vol 81 (2) ◽  
pp. 349-358 ◽  
Author(s):  
Thomas M Primus ◽  
Doreen L Griffin ◽  
Stephanite A Volz ◽  
John J Johnston
Keyword(s):  
Petroleum Ether ◽  
Ion Pairing ◽  
Chromatographic Determination ◽  
Reversed Phase ◽  
Liquid Extraction ◽  
Ion Pair ◽  
Limits Of Detection ◽  
Liquid Chromatographic Determination ◽  
Liquid Chromatographic

abstract A reversed-phase ion-pair liquid chromatographic (LC) method was developed for analysis of steam-rolled oat (SRO) baits fortified with either chlorophacinone or diphacinone. Baits were prepared with and without paraffin wax. Chlorophacinone or diphacinone was extracted from wax-free SRO baits with 5 mM tetrabutylammonium phosphate methanolic ion-pairing solution. Wax baits were initially extracted with petroleum ether and then cleaned up by liquid extraction into methanolic ion-pairing solution containing 20% water. SRO extracts were analyzed with reversed-phase ion-pair LC. Chlorophacinone and diphacinone were quantified by UV absorption at 325 nm. Recoveries from SRO fortified with chlorophacinone at 25 and 150 μg/g were 90.7 and 90.8%, respectively, whereas for diphacinone at the same levels, recoveries were 93.5 and 92.3%, respectively. Recoveries from wax baits fortified at 25 and 75 μg/g chlorophacinone were 98.5 and 100%, respectively, whereas for diphacinone at the same levels, recoveries were 93.6 and 98.0%, respectively. Method limits of detection for chlorophacinone and diphacinone in SRO baits were estimated to be 1.0 and 0.76 μg/g, respectively. Method limits of detection for chlorophacinone and diphacinone in wax baits were estimated to be 4.2 and 2.8 μg/g, respectively.

scholarly journals Enhancement of Ion Pairing of Sr(II) and Ba(II) Salts by a Tritopic Ion‐Pair Receptor in Solution

ChemPhysChem ◽  
2020 ◽  
Vol 21 (17) ◽  
pp. 1957-1965
Author(s):  
Bence Kutus ◽  
Jun Zhu ◽  
Jian Luo ◽  
Qi‐Qiang Wang ◽  
Alexandru Lupan ◽  
...  
Keyword(s):  
Ion Pairing ◽  
Ion Pair
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