scholarly journals Short-range and long-range solvent effects on charge-transfer-to-solvent transitions of I− and K+I− contact ion pair dissolved in supercritical ammonia

2007 ◽  
Vol 126 (17) ◽  
pp. 174504 ◽  
Author(s):  
G. Sciaini ◽  
R. Fernández-Prini ◽  
D. A. Estrin ◽  
E. Marceca
Keyword(s):  
Charge Transfer ◽  
Long Range ◽  
Solvent Effects ◽  
Short Range ◽  
Ion Pair ◽  
Contact Ion Pair ◽  
Supercritical Ammonia

Ion-pairing in polyoxometalate chemistry: impact of fully hydrated alkali metal cations on properties of the keggin [PW12O40]3− anion

2020 ◽  
Vol 49 (32) ◽  
pp. 11170-11178
Author(s):  
Alexey L. Kaledin ◽  
Qiushi Yin ◽  
Craig L. Hill ◽  
Tianquan Lian ◽  
Djamaladdin G. Musaev
Keyword(s):  
Charge Transfer ◽  
Alkali Metal ◽  
Metal Cations ◽  
Ion Pairing ◽  
Ion Pair ◽  
Alkali Metal Cations ◽  
Contact Ion Pair ◽  
Intermolecular Charge Transfer ◽  
Hydrogen Bonded

The [PW12O40]3−[M+(H2O)16]3 is a “hydrogen bonded” ion-pair complex for M = Li, Na and K, but is a “contact” ion-pair complex for M = Rb and Cs, intermolecular charge transfer from the solvated counter cations M+(H2O)16 to the anion [PW12O40]3−.

Modulation of Surface Charge Transfer through Competing Long-Range Repulsive versus Short-Range Attractive Interactions

2011 ◽  
Vol 115 (38) ◽  
pp. 18640-18648 ◽  
Author(s):  
J. Fraxedas ◽  
S. García-Gil ◽  
S. Monturet ◽  
N. Lorente ◽  
I. Fernández-Torrente ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Surface Charge ◽  
Long Range ◽  
Short Range

scholarly journals Long-range versus short-range effects in cold molecular ion-neutral collisions

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Alexander D. Dörfler ◽  
Pascal Eberle ◽  
Debasish Koner ◽  
Michał Tomza ◽  
Markus Meuwly ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Theoretical Analysis ◽  
Ab Initio ◽  
Long Range ◽  
Short Range ◽  
Experimental Results ◽  
Quantum Scattering ◽  
Kinetics And Dynamics ◽  
Reaction Channels ◽  
Ab Initio Potentials

AbstractThe investigation of cold interactions between ions and neutrals has recently emerged as a new scientific frontier at the interface of physics and chemistry. Here, we report a study of charge-transfer (CT) collisions of Rb atoms with N$${}_{2}^{+}$$2+ and O$${}_{2}^{+}$$2+ ions in the mK regime using a dynamic ion-neutral hybrid trapping experiment. We observe markedly different CT kinetics and dynamics for the different systems and reaction channels studied. While the kinetics in some channels are consistent with classical capture theory, others show distinct non-universal dynamics. The experimental results are interpreted with the help of classical-capture, quasiclassical-trajectory and quantum-scattering calculations using ab-initio potentials for the highly excited molecular states involved. The theoretical analysis reveals an intricate interplay between short- and long-range effects in the different reaction channels which ultimately determines the CT dynamics and rates. Our results illustrate salient mechanisms that determine the efficiency of cold molecular CT reactions.

Dipole moment of the charge transfer complex 1-ethyl-4-methoxy carbonyl pyridinium iodide

1991 ◽  
Vol 56 (3) ◽  
pp. 560-568
Author(s):  
Mahboob Mohammad ◽  
Athar Yaseen Khan ◽  
Rashid Iqbal ◽  
Intisar Ahmed Khan ◽  
Tariq Mahmood
Keyword(s):  
Dipole Moment ◽  
Charge Transfer ◽  
Model Compound ◽  
Charge Transfer Complex ◽  
Ion Pair ◽  
Component Method ◽  
Nonpolar Solvents ◽  
Contact Ion Pair ◽  
Experimental Dipole Moment

Dipole moment of a biologically important model compound: Charge transfer complex 1-ethyl-4-methoxy carbonyl pyridinium iodide was determined experimentally. A three component method was employed for this purpose, which is especially useful for determining the dipole moment of a salt insoluble in nonpolar solvents. The experimental dipole moment of this compound, hitherto unmeasured, was found to be (37.7 ± 1.0) . 10-30 C m against the theoretical (contact) ion pair value of 46.4 . 10-30 C m.

scholarly journals Colloidal CdSe nanocrystals are inherently defective

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Tamar Goldzak ◽  
Alexandra R. McIsaac ◽  
Troy Van Voorhis
Keyword(s):  
Charge Transfer ◽  
Energy Spectrum ◽  
Surface Structure ◽  
Short Range ◽  
Surface Defects ◽  
Low Energy ◽  
Lewis Base ◽  
Cdse Nanocrystals ◽  
Photoinduced Charge Transfer ◽  
Photoinduced Charge

AbstractColloidal CdSe nanocrystals (NCs) have shown promise in applications ranging from LED displays to medical imaging. Their unique photophysics depend sensitively on the presence or absence of surface defects. Using simulations, we show that CdSe NCs are inherently defective; even for stoichiometric NCs with perfect ligand passivation and no vacancies or defects, we still observe that the low energy spectrum is dominated by dark, surface-associated excitations, which are more numerous in larger NCs. Surface structure analysis shows that the majority of these states involve holes that are localized on two-coordinate Se atoms. As chalcogenide atoms are not passivated by any Lewis base ligand, varying the ligand should not dramatically change the number of dark states, which we confirm by simulating three passivation schemes. Our results have significant implications for understanding CdSe NC photophysics, and suggest that photochemistry and short-range photoinduced charge transfer should be much more facile than previously anticipated.

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