THE INFLUENCE OF SINGLY CHARGED IONS ON THE TRANSLATIONAL MOTION OF MOLECULES IN EXTREMELY DILUTE AMIDE SOLUTIONS

The type of short range solvation of Li+, Na+ K+, Rb+, Cs+, NH4+, Cl– , Br–, I–, ClO4– ions has been determined and analyzed in formamide (FA), N-methylformamide (MFA), N-dimethylformamide (DMF) at 298.15 K. In order to determine the type of ion solvation we used familiar-variable quantitative parameter (– ri), where is the translational displacement length of ion, ri is its structural radius. It was found that the difference (– ri) is equal to the coefficient of attraction friction (CAF) of ions normalized to the solvent viscosity and hydrodynamic coefficient. The sign of the CAF is determined by the sign of the algebraic sum of its ion-molecular and intermolecular components. In amide solutions the studied cations are cosmotropes (positively solvated ((– ri) > 0), structure-making ions) and anions are chaotropes (negatively solvated ((– ri) < 0 ), structure-breaking ions). In the amide series, regardless of the sign (– ri), the near-solvation enhances, which can be explained by the weakening of the specific interaction between the solvent molecules. The decrease of and respectively (– ri) with increasing cation radius in a given solvent is the result of weakening of its coordinating force due to the decrease of charge density in the series Li+–Na+–K+–Rb+–Cs+. The increase of (and (– ri), correspondingly) for the ions studied in the series FA- MFA-DMF can be explained by the weakening of intermolecular interactions in this series, which leads to the strengthening of solvation. It was found that for the halide ions in the series FA-MFA-DMF the regular growth of parameter is explained by the weakening of the solvent structure. It was shown that Li+ ion with the lowest diffusion coefficient among cations and the highest value forms kinetically stable complexes in amide solutions.

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A collisionally activated dissociation (CAD) and computational investigation of doubly and singly charged DMSO complexes of Cu2+

Canadian Journal of Chemistry ◽

10.1139/v05-201 ◽

2005 ◽

Vol 83 (11) ◽

pp. 1921-1935 ◽

Cited By ~ 7

Author(s):

John A Stone ◽

Timothy Su ◽

Dragic Vukomanovic

Keyword(s):

Electron Transfer ◽

Collision Energy ◽

Nbo Analysis ◽

Computational Investigation ◽

Doubly Charged Ions ◽

Collisionally Activated Dissociation ◽

The Difference ◽

Singly Charged ◽

Doubly Charged ◽

Charged Ions

The singly and doubly charged Cu(II)DMSO complexes formed by electrospray have been examined by CAD and computation. The CAD spectra were obtained as a function of collision energy. The doubly charged ions, [Cu(DMSO)n]2+, were observed only for n ≥ 2. For n = 3, dissociation leads mainly to [Cu(DMSO)2]+ + DMSO+, with only a trace of [Cu(DMSO)2]2+. Although [Cu(DMSO)]2+ was never detected, computation shows that the n = 1 complex exists in a potential well. Loss of DMSO+ is computed to be exothermic for n = 13, the exothermicity decreasing as n increases. The singly charged complexes in the ESI spectra were [CuX(DMSO)n]+ (X = Cl, Br, NO3, HSO4, n = 1 or 2). The CAD spectra showed competition between electron transfer from anion to metal followed by loss of X and loss of DMSO+. Experiment and computation show that for [CuX(DMSO)]+, loss of X is the preferred decomposition at low collision energy. NBO analysis shows that electron transfer to Cu from DMSO decreases in [Cu(DMSO)n]2+ as n increases, the bonding becoming more electrostatic and less covalent. In [CuX(DMSO)n]+, the negative charge on X is much less than unity with most of the difference appearing on the DMSO ligand(s).Key words: copperDMSO complexes, electrospray, CAD, structures.

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Electron transfer in argon

Proceedings of the Royal Society of London Series A - Mathematical and Physical Sciences ◽

10.1098/rspa.1939.0072 ◽

1939 ◽

Vol 171 (946) ◽

pp. 383-397 ◽

Cited By ~ 6

Keyword(s):

Electron Transfer ◽

Kinetic Energy ◽

Ionization Potential ◽

Neutral Atom ◽

Normal Atom ◽

The Difference ◽

Singly Charged ◽

Doubly Charged ◽

Charged Ions ◽

First Ionization Potential

When a singly-charged ion A collides with a normal atom B an electron may be transferred from 15 to A with the result that A becomes a neutral atom and B becomes a singly-charged ion. If the ionization potential of A is greater than that of B this process results in an evolution of energy equal to the difference between the ionization energies of A and B . If a doubly-charged ion A collides with a normal atom B , an electron being transferred from B to A during the collision, the process results in two singly-charged ions. The energy liberated in this process is equivalent to the difference between the second ionization potential of A and the first ionization potential of B . This may be partially or wholly employed in exciting one of the resulting ions or in increasing the kinetic energy of the separating particles.

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Solvation and redox properties of [Co(en)3]3+-[Co(en)3]2+ system

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19800335 ◽

1980 ◽

Vol 45 (2) ◽

pp. 335-338 ◽

Cited By ~ 2

Author(s):

Adéla Kotočová ◽

Ulrich Mayer

Keyword(s):

Hydrogen Bond ◽

Lewis Acid ◽

Specific Interaction ◽

Redox Properties ◽

Solvation Effect ◽

Interacting Particles ◽

Acid Base ◽

Polar Solvents ◽

Oxidation Reduction ◽

Solvent Molecules

The solvation effect of a number of nonaqueous polar solvents was studied on the oxidation-reduction properties of the [Co(en)3]3+-[Co(en)3]2+ system. Interactions of these ions with the solvent molecules are discussed in terms of their coordination, which is accompanied by a specific interaction of the Lewis acid-base type, namely formation of a hydrogen bond between the interacting particles. This is the main controlling factor of the redox properties of the studied system.

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Electron Capture, Ionization and Fragmentation in Collisions of Singly Charged Ions with C60

Physica Scripta ◽

10.1238/physica.topical.110a00325 ◽

2004 ◽

Vol 110 ◽

pp. 325 ◽

Cited By ~ 3

Author(s):

P. Moretto-Capelle ◽

A. Rentenier ◽

D. Bordenave-Montesquieu ◽

A. Bordenave-Montesquieu

Keyword(s):

Electron Capture ◽

Singly Charged ◽

Charged Ions

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Oxide, Hydroxide, and Doubly Charged Analyte Species in Inductively Coupled Plasma/Mass Spectrometry

Applied Spectroscopy ◽

10.1366/0003702864509006 ◽

1986 ◽

Vol 40 (4) ◽

pp. 434-445 ◽

Cited By ~ 181

Author(s):

M. A. Vaughan ◽

G. Horlick

Keyword(s):

Mass Spectrometry ◽

Inductively Coupled Plasma ◽

Inductively Coupled ◽

Doubly Charged Ions ◽

Oxide Hydroxide ◽

Plasma Mass Spectrometry ◽

Singly Charged ◽

Doubly Charged ◽

Oxide Ions ◽

Charged Ions

In inductively coupled plasma/mass spectrometry analyte, M may be distributed among several species forms including doubly charged ions (M2+), singly charged ions (M+), mono-oxide ions (MO+), and hydroxide ions (MOH+). Detailed data are presented for Ba to illustrate the dependence of the ion count of these species and their ratios (M2+/M+, MO+/M+, and MOH+/M+) on nebulizer flow rate, plasma power, and sampling depth. Although these data are representative of most elements, many form oxides to a much greater degree than Ba; data are presented for Ti, W, and Ce to illustrate this fact. These various analyte species are important in that serious interelement interferences can occur because of spectral overlap. An extensive pair of tables indicating potential spectral interferences caused by element oxide, hydroxide, and doubly charged ions is presented.

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NEAR HYDRATION OF SINGLY CHARGED MONOATOMIC IONS IN EXTREMELY DILUTED SOLUTIONS: THE EFFECT OF TEMPERATURE AND PRESSURE

Bulletin of the National Technical University KhPI Series Chemistry Chemical Technology and Ecology ◽

10.20998/2079-0821.2021.01.04 ◽

2021 ◽

pp. 24-31

Author(s):

Viktor Ivanovych Булавин ◽

Ivan Nikolajevych V’unik ◽

Andrii Viktorovych Kramarenko ◽

Alexandr Ivanovych Rusinov

Keyword(s):

Ion Solvation ◽

Effect Of Temperature ◽

Temperature Growth ◽

Translational Displacement ◽

Na Ions ◽

Extremely Diluted Solutions ◽

Temperature And Pressure ◽

Singly Charged ◽

Direction Opposite ◽

Structure Breaking

The diffusion coefficient and the distance of translational displacement of Li+, Na+ K+, Cs+, Cl– and Br– ions in water at 298.15 K – 423.15 K (25 K step) and pressure from 0.0981 to 784.5 MPa (98.1 MPa step) were calculated from the literature data on limiting molar electrical conductivity. The values for these ions increase with pressure growth from 0.0981 to 98.1 MPa at 298.15 K. Further pressure increase (up to 785 MPa) leads to decrease in . Temperature growth under isobaric conditions leads to an increase in . Parameter (– ri) (deviation from the Stokes–Einstein law, ri is ion structural radius) was used as a criterion for the type of ion solvation. It is shown that Li+ and Na+ ions behave as cosmotropes, or positively solvated structure–forming ions having (– ri) > 0. The Cs+, Cl–, Br– ions behave as chaotropes, or negatively solvated structure–breaking ions having (– ri) < 0. For the K+ ion, the (– ri) deviation is alternating. At 0.0981 MPa and 298.15 K, the K+ ion is a chaotrope. But at 320 K (Tlim) parameter (– ri) = 0. It corresponds to the transition from negative to positive solvation. Above Tlim at P = const, the K+ ion is a cosmotrope. At 298.15 K and up to 98.1 MPa, the pressure causes the same change in the (– ri) deviation as the temperature. On the contrary, at 320 K and higher, the pressure affects the near hydration in the direction opposite to the temperature.

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Ultrafast Temporal Evolution of Interatomic Coulombic Decay in NeKr Dimers

Chemical Science ◽

10.1039/d1sc04630f ◽

2022 ◽

Author(s):

Florian Trinter ◽

Tsveta Miteva ◽

Miriam Weller ◽

Alexander Hartung ◽

Martin Richter ◽

...

Keyword(s):

Light Source ◽

Energy Resolution ◽

Temporal Evolution ◽

Synchrotron Light ◽

Singly Charged ◽

Charged Ions

We investigate interatomic Coulombic decay in NeKr dimers after neon inner-valence photoionization [Ne+(2s-1)] using a synchrotron light source. We measure with energy resolution the two singly charged ions of the...

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Structural properties of reciprocal form factor in neutral atoms and singly charged ions

The Journal of Chemical Physics ◽

10.1063/1.1667467 ◽

2004 ◽

Vol 120 (16) ◽

pp. 7369-7373 ◽

Cited By ~ 2

Author(s):

E. Romera ◽

J. C. Angulo

Keyword(s):

Form Factor ◽

Structural Properties ◽

Neutral Atoms ◽

Singly Charged ◽

Charged Ions

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Effect of Heterocyclic Ring on LnIII Coordination, Luminescence and Extraction of Diamides of 2,2′-Bipyridyl-6,6′-Dicarboxylic Acid

Molecules ◽

10.3390/molecules25010062 ◽

2019 ◽

Vol 25 (1) ◽

pp. 62 ◽

Cited By ~ 2

Author(s):

Nataliya E. Borisova ◽

Alexey V. Ivanov ◽

Anastasia V. Kharcheva ◽

Tsagana B. Sumyanova ◽

Uliana V. Surkova ◽

...

Keyword(s):

Solid State ◽

Dicarboxylic Acid ◽

Large Deviation ◽

Specific Interaction ◽

Heterocyclic Ring ◽

Solution Stability ◽

Solvent Molecules ◽

Electron Sink ◽

Structure In Solution ◽

Eu Complexes

We have synthesized and examined several complexes of lanthanides with diamides of 2,2′-bipyridyl-6,6′-dicarboxylic acid bearing various hetaryl-based side chains for the elucidation of the effect of the heterocycle on the structure and properties of the ligands. The multigram scale methods for the preparation of various N-alkyl-hetaryls and their diamides were developed. The solid state structure of 6-methyl-2-pyridylamide of 2,2′-bipyridyl-6,6′-dicarboxylic acid possesses a flat structure where the conformation is completely different from that previously observed for N-alkylated 2,2′-bipyridyl-6,6′-dicarboxamides and 2,6-pyridinedicarboxamides. The complexes of new ligands were synthesized and NMR and X-Ray studied their structure in solution and solid state. The results demonstrate that complexes possess the same structures both in solid state and in solution. Stability constants of the complexes were less when comparing with dimethyl-substituted diamides, but higher than for unsubstituted dianilide. Contrarily, the extraction ability of 2-pyridyl-diamide is significantly lower than for corresponding anilide. Specific interaction of extractant with solvent molecules, which is not available for electron-sink pyridine amides, can explain this. The luminescence of new Eu complexes was significantly higher than for all previously 2,2′-bipyridyl-6,6′-dicarboxamides and QY reaches 18%. Asymmetry ratios of Eu complexes were 25% higher when compared other complexes with 2,2′-bipyridyl-6,6′-dicarboxamides, which indicates large deviation from the inversion center.

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