Radiative charge transfer and radiative association of helium ions with neon atoms

1984 ◽  
Vol 62 (12) ◽  
pp. 1622-1628 ◽  
Author(s):  
D. L. Cooper ◽  
K. Kirby ◽  
A. Dalgarno
Keyword(s):  
Charge Transfer ◽  
Dipole Moments ◽  
Rate Coefficients ◽  
Spin Orbit ◽  
Helium Ions ◽  
Transition Dipole ◽  
Radiative Association ◽  
Transition Dipole Moments ◽  
Spin Orbit Interactions ◽  
Comparison With Experimental Data

Ab initio calculations are carried out for the dipole moments of the X2Σ+, A2Π, and B2Σ+ states of HeNe+, and the transition dipole moments connecting them. The effects of spin-orbit interactions are explored briefly. The transition dipole moments are used in a calculation of the rate coefficients of radiative charge transfer and radiative association of He+ ions in neon and the associated spectra are obtained. Comparison with experimental data provides support for the conclusion that the radiation detected was emitted in the course of the collisions of He+ with Ne. Some quantitative discrepancies remain which may arise from intensity stealing by the A22Π1/2 state from the X2Σ+ state.

Theoretical spin-orbit structure of the alkali dimer cation K2+

2008 ◽  
Vol 86 (12) ◽  
pp. 1409-1415 ◽  
Author(s):  
A Jraij ◽  
A R Allouche ◽  
S Magnier ◽  
M Aubert-Frecon
Keyword(s):  
Bound States ◽  
Theoretical Study ◽  
Large Range ◽  
Dipole Moments ◽  
Spin Orbit ◽  
Transition Dipole ◽  
Transition Energies ◽  
Transition Dipole Moments ◽  
Internuclear Distances ◽  
The Web

A theoretical study of the electronic structure of [Formula: see text] including spin-orbit effects has been performed. Potential energy curves for the 58 molecular states in the representation Ωg,u are presented. Equilibrium distances, transition energies, depths for wells, and heights for humps predicted at short and large range of internuclear distances R are reported for all the bound states [Formula: see text] and Ωg,u dissociating to limits up to K++K(6p 2P3/2). Transition dipole moments have been calculated for all the allowed transitions among states [Formula: see text] dissociating to limits up to K+ +K(3d 2D). To the best of our knowledge, these are the first data reported for the Ωg,u states of [Formula: see text]. Extensive tables of energy values and transition dipole moments versus internuclear distances are available at the web address: http://www-lasim.univ-lyon1.fr/spip.php?rubrique99.PACS Nos.: 31.10.+z, 31.15.A–, 31.15.aj

scholarly journals Highly effective organic light-emitting diodes containing thermally activated delayed fluorescence emitters with horizontal molecular orientation

RSC Advances ◽  
2020 ◽  
Vol 10 (70) ◽  
pp. 42897-42902
Author(s):  
Chan Hee Lee ◽  
Shin Hyung Choi ◽  
Sung Joon Oh ◽  
Jun Hyeon Lee ◽  
Jae Won Shim ◽  
...  
Keyword(s):  
Dipole Moments ◽  
Delayed Fluorescence ◽  
Organic Light Emitting Diodes ◽  
Host Matrix ◽  
Transition Dipole ◽  
Thermally Activated Delayed Fluorescence ◽  
Light Emitting ◽  
Thermally Activated ◽  
Organic Light ◽  
Transition Dipole Moments

The linear D–A–D type of molecular structure of AcPYM and PxPYM enhances the horizontally oriented alignment and up to 87% of the horizontal transition dipole moments in the host matrix is realized.

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