Charge Transfer Between CO22+ and Ar or Ne at Collision Energies 3-10 eV

2003 ◽  
Vol 68 (1) ◽  
pp. 178-188 ◽  
Author(s):  
Libor Mrázek ◽  
Ján Žabka ◽  
Zdeněk Dolejšek ◽  
Zdeněk Herman
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Ground State ◽  
Scattering Method ◽  
Translational Energy ◽  
Centre Of Mass ◽  
Energy Distributions ◽  
Zener Model ◽  
Beam Scattering ◽  
Product Ions

The beam scattering method was used to investigate non-dissociative single-electron charge transfer between the molecular dication CO22+ and Ar or Ne at several collision energies between 3-10 eV (centre-of-mass, c.m.). Relative translational energy distributions of the product ions showed that in the reaction with Ar the CO2+ product was mainly formed in reactions of the ground state of the dication, CO22+(X3Σg-), leading to the excited states of the product CO2+(A2Πu) and CO2+(B2Σu+). In the reaction with Ne, the largest probability had the process from the reactant dication excited state CO22+(1Σg+) leading to the product ion ground state CO2+(X2Πg). Less probable were processes between the other excited states of the dication CO22+, (1∆g), (1Σu-), (3∆u), also leading to the product ion ground state CO2+(X2Πg). Using the Landau-Zener model of the reaction window, relative populations of the ground and excited states of the dication CO22+ in the reactant beam were roughly estimated as (X3Σg):(1∆g):(1Σg+):(1Σu-):(3∆u) = 1.0:0.6:0.5:0.25:0.25.

Scattering of Low-Energy (5-12 eV) C2D4•+ Ions from Room-Temperature Carbon Surfaces

2008 ◽  
Vol 73 (6-7) ◽  
pp. 755-770 ◽  
Author(s):  
Andriy Pysanenko ◽  
Ján Žabka ◽  
Zdeněk Herman
Keyword(s):  
Survival Probability ◽  
Room Temperature ◽  
Incident Angle ◽  
Pyrolytic Graphite ◽  
Carbon Surface ◽  
Translational Energy ◽  
Energy Distributions ◽  
Surface Mass ◽  
Fragment Ions ◽  
Product Ions

The scattering of the hydrocarbon radical cation C2D4•+ from room-temperature carbon (highly oriented pyrolytic graphite, HOPG) surface was investigated at low incident energies of 6-12 eV. Mass spectra, angular and translational energy distributions of product ions were measured. From these data, information on processes at surfaces, absolute ion survival probability, and kinematics of the collision was obtained. The projectile ion showed both inelastic, dissociative and reactive scattering, namely the occurrence of H-atom transfer reaction with hydrocarbons present on the room-temperature carbon surface. The absolute survival probability of the ions for the incident angle of 30° (with respect to the surface) decreased from about 1.0% (16 eV) towards zero at incident energies below 10 eV. Estimation of the effective surface mass involved in the collision process led to m(S)eff of about 57 a.m.u. for inelastic non-dissociative collisions of C2D4•+ and of about 115 a.m.u. for fragment ions (C2D3+, C2D2•+) and ions formed in reactive surface collisions (C2D4H+, C2D2H+, contributions to C2D3+ and C2D2•+). This suggested a rather complex interaction between the projectile ion and the hydrocarbon-covered surface during the collision.

CHAMELEON GROUND STATE AND EXCITED STATES OF EDT-TTF-IM-F4TCNQ RADICAL DYAD IN DIFFERENT ENVIRONMENTS

2012 ◽  
Vol 11 (03) ◽  
pp. 505-525 ◽  
Author(s):  
YUHUA ZHOU ◽  
KAI TAN ◽  
XIN LU
Keyword(s):  
Charge Transfer ◽  
Solid State ◽  
Excited States ◽  
Ground State ◽  
Density Functional ◽  
Solvent Polarity ◽  
Functional Study ◽  
Polar Solvents ◽  
Model Calculations ◽  
A Charge

We have performed a systematic density functional study on the ground-state electronic structure and excited states of a representative D-σ-A dyad, i.e. EDT-TTF-Im-F4TCNQ π-radical, in vacuo and in different conventional solvents (toluene, THF, DMF and DMSO) by using some popular hybrid density functionals (B3LYP, M05, M05-2X, PBE0 and BMK). It has been shown that the M05 and B3LYP functionals perform the best in predicting the intramolecular charge-transfer (ICT) pertaining to both the ground state and excited states of the dyad. The amphoteric dyad is liable to solvent-promoted ICT from its EDT-TTF-Im donor (D) to F4TCNQ acceptor (A), adopting a charge-unseparated ground state D-A• in vacuo, a partially zwitterionic ground state [D-A]• in nonpolar toluene solvent, and a fully zwitterionic ground state D•+-A- in such polar solvents as THF, DMF and DMSO. Owing to its solvent-dependent chameleon ground state, excited states of the dyad in solvents also exhibit remarkable dependence on solvent polarity, as revealed by TDDFT calculations. Furthermore, cluster model calculations revealed that intermolecular charge-transfer readily occurs between the dyads, accounting for the observed zwitterionic charge state in solid state and solid-state semiconductivity.

Planarized intramolecular charge transfer on triphenylamine-modified pyrazine and its application in organic light-emitting diodes

2020 ◽  
Vol 8 (14) ◽  
pp. 4754-4762 ◽  
Author(s):  
Bing Zhang ◽  
Haozhong Wu ◽  
Zhiming Wang ◽  
Anjun Qin ◽  
Ben Zhong Tang
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Ground State ◽  
Light Emitting Diodes ◽  
Intramolecular Charge Transfer ◽  
Organic Light Emitting Diodes ◽  
Light Emitting ◽  
Organic Light

PLICT molecules have twisted structures in the ground state, which are conducive to transport, while the planar conformations of the excited states facilitate radiation. Based on these advantages, they can serve as excellent emitters and hosts in OLEDs.

Ferromagnetic coupling in d1–d3 linear oxido-bridged heterometallic complexes: ground-state models of metal-to-metal charge transfer excited states

2015 ◽  
Vol 44 (43) ◽  
pp. 18937-18944 ◽  
Author(s):  
Tao Huang ◽  
Xinyuan Wu ◽  
Xiao Song ◽  
Hao Xu ◽  
Tatyana I. Smirnova ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Ground State ◽  
Magnetic Coupling ◽  
Heterometallic Complexes ◽  
Ferromagnetic Coupling ◽  
Metal Charge ◽  
State Models ◽  
Metal Charge Transfer

Linear heterobimetallic oxido-bridged d1–d3 compounds are described which are proposed as models for magnetic coupling of MMCT excited states.

Photoneutrons from 20Ne

1975 ◽  
Vol 53 (8) ◽  
pp. 795-801 ◽  
Author(s):  
J. G. Woodworth ◽  
J. W. Jury ◽  
K. H. Lokan ◽  
N. K. Sherman
Keyword(s):  
Excited States ◽  
Cross Section ◽  
Ground State ◽  
Giant Dipole Resonance ◽  
Time Of Flight ◽  
Photon Absorption ◽  
Absolute Cross Section ◽  
Energy Distributions ◽  
Dipole Resonance ◽  
Integrated Cross Section

Photoneutron energy distributions from a target of liquid neon have been measured at 90° by time of flight for bremsstrahlung endpoint energies increasing in 1 MeV steps from 19 to 32 MeV. The differential ground state cross section for the major (91%) isotope 20Ne has been obtained, together with an estimate of the strength of transitions to excited states of 19Ne. Six photoneutron groups are observed, reflecting photon absorption which correlates excellently with existing photoproton data, although the absolute cross section is about 10% smaller.It is noted that the giant dipole resonance, estimated by combining the photoneutron and photoproton data, is centered at approximately 20 MeV, which is anomalously low, and that the integrated cross section up to 28 MeV exhausts only half of the dipole sum.

Synthesis and Photochemical Properties of Re(I) Tricarbonyl Complexes Bound to Thione and Thiazole-2-ylidene Ligands

2020 ◽  
Author(s):  
Matthew Stout ◽  
Brian Skelton ◽  
Alexandre N. Sobolev ◽  
Paolo Raiteri ◽  
Massimiliano Massi ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Ligand Exchange ◽  
Ligand Substitution ◽  
Bidentate Ligand ◽  
The Other ◽  
Ligand Exchange Reaction ◽  
Multiple Products ◽  
Ligand Charge Transfer ◽  
Photochemical Properties

<p>Three Re(I) tricarbonyl complexes, with general formulation Re(N^L)(CO)<sub>3</sub>X (where N^L is a bidentate ligand containing a pyridine functionalized in the position 2 with a thione or a thiazol-2-ylidene group and X is either chloro or bromo) were synthesized and their reactivity explored in terms of solvent-dependent ligand substitution, both in the ground and excited states. When dissolved in acetonitrile, the complexes bound to the thione ligand underwent ligand exchange with the solvent resulting in the formation of Re(NCMe)<sub>2</sub>(CO)<sub>3</sub>X. The exchange was found to be reversible, and the starting complex was reformed upon removal of the solvent. On the other hand, the complexes appeared inert in dichloromethane or acetone. Conversely, the complex bound to the thiazole-2-ylidene ligand did not display any ligand exchange reaction in the dark, but underwent photoactivated ligand substitution when excited to its lowest metal-to-ligand charge transfer manifold. Photolysis of this complex in acetonitrile generated multiple products, including Re(I) tricarbonyl and dicarbonyl solvato-complexes as well as free thiazole-2-ylidene ligand.</p>

Excited-State Dynamics in the RNA Nucleotide Uridine 5’-Monophosphate Investigated by Femtosecond Broadband Transient Absorption Spectroscopy

2019 ◽  
Author(s):  
Matthew M. Brister ◽  
Carlos Crespo-Hernández
Keyword(s):  
Excited State ◽  
Excited States ◽  
Ground State ◽  
Transient Absorption ◽  
Electronic Energy ◽  
Transient Absorption Spectroscopy ◽  
Electronic Relaxation ◽  
Vibrationally Excited ◽  
Excited State Dynamics ◽  
Π State

<p></p><p> Damage to RNA from ultraviolet radiation induce chemical modifications to the nucleobases. Unraveling the excited states involved in these reactions is essential, but investigations aimed at understanding the electronic-energy relaxation pathways of the RNA nucleotide uridine 5’-monophosphate (UMP) have not received enough attention. In this Letter, the excited-state dynamics of UMP is investigated in aqueous solution. Excitation at 267 nm results in a trifurcation event that leads to the simultaneous population of the vibrationally-excited ground state, a longlived <sup>1</sup>n<sub>O</sub>π* state, and a receiver triplet state within 200 fs. The receiver state internally convert to the long-lived <sup>3</sup>ππ* state in an ultrafast time scale. The results elucidate the electronic relaxation pathways and clarify earlier transient absorption experiments performed for uracil derivatives in solution. This mechanistic information is important because long-lived nπ* and ππ* excited states of both singlet and triplet multiplicities are thought to lead to the formation of harmful photoproducts.</p><p></p>

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