Photochemical generation of 2,3-naphthoquinodimethane derivatives. An extremely facile "forbidden" thermal reaction and evidence for a low-energy doubly excited state

1979 ◽  
Vol 101 (7) ◽  
pp. 1820-1826 ◽  
Author(s):  
Richard P. Steiner ◽  
Robert D. Miller ◽  
Harry J. Dewey ◽  
Josef Michl
Keyword(s):  
Excited State ◽  
Thermal Reaction ◽  
Low Energy ◽  
Photochemical Generation ◽  
Doubly Excited

Radiative two-electron capture and doubly excited state excitation in N5++He low-energy collisions

1987 ◽  
Vol 20 (14) ◽  
pp. L457-L461 ◽  
Author(s):  
T Bouchama ◽  
J Desesquelles ◽  
M Druetta ◽  
M Farizon ◽  
S Martin
Keyword(s):  
Excited State ◽  
Electron Capture ◽  
Low Energy ◽  
Doubly Excited

scholarly journals The Low Lying Double-Exciton State of Conjugated Diradicals: Assessment of TDUDFT and Spin-Flip TDDFT Predictions

2019 ◽  
Author(s):  
Sofia Canola ◽  
Yasi Dai ◽  
Fabrizia Negri
Keyword(s):  
Excited State ◽  
Density Functional ◽  
Photophysical Properties ◽  
Exciton State ◽  
Reference Configuration ◽  
Singlet Ground State ◽  
Distinctive Character ◽  
Spin Flip ◽  
Doubly Excited ◽  
Potential Applications

Conjugated singlet ground state diradicals have received remarkable attention owing to their potential applications in optoelectronic devices. A distinctive character of these systems is the location of the double exciton state, a low lying excited state dominated by the doubly excited H,H→L,L configuration, which may influence optical and other photophysical properties. In this contribution we investigate this specific excited state, for a series of recently synthesized conjugated diradicals, employing time dependent density functional theory based on the unrestricted parallel spin reference configuration in the spin-flip formulation (SF-TDDFT) and standard TD calculations based on the unrestricted antiparallel spin reference configuration (TDUDFT). The quality of the computed results is assessed considering diradical and multiradical descriptors and the excited state wavefunction composition.

Photoinduced ligand dissociation follows reverse energy gap law: nitrile photodissociation from low energy 3MLCT excited states

2020 ◽  
Vol 56 (29) ◽  
pp. 4070-4073
Author(s):  
Lauren M. Loftus ◽  
Jeffrey J. Rack ◽  
Claudia Turro
Keyword(s):  
Excited State ◽  
Excited States ◽  
Absorption Spectroscopy ◽  
Transient Absorption ◽  
Energy Gap ◽  
Low Energy ◽  
Transient Absorption Spectroscopy ◽  
Ligand Dissociation ◽  
Energy Gap Law

Transient absorption spectroscopy is used to show that stabilization of the 3MLCT excited state in a series of Ru(ii) complexes leads to decreased population of the 3LF state, but does not reduce the efficiency of photoinduced nitrile dissociation.

scholarly journals Low energy excited state vibrations revealed in conjugated copolymer PCDTBT

2020 ◽  
Vol 152 (4) ◽  
pp. 044201
Author(s):  
Shawn Irgen-Gioro ◽  
Palas Roy ◽  
Suyog Padgaonkar ◽  
Elad Harel
Keyword(s):  
Excited State ◽  
Low Energy ◽  
Conjugated Copolymer

Spontaneous Tunnel Transitions Induced by Redistribution of Trapped Electrons over Impurity Centers

1983 ◽  
Vol 38 (9) ◽  
pp. 959-962
Author(s):  
A. A. Berezin
Keyword(s):  
Excited State ◽  
Charge State ◽  
Ground State ◽  
Low Energy ◽  
Energy Photon ◽  
Impurity Site ◽  
The Third ◽  
Tunnel Transition ◽  
Extra Electron ◽  
Impurity Centers

Abstract A system of polyvalent impurity centers in a semiconductor (i.e. Au-centers in Si) is con-sidered. The ground state of the impurity pair Au-(a) + Au° (b), where an extra electron is localized on the site a, may be turned into an excited state due to a change of the charge state of a third nearby impurity site. This happens because of different shifts of the Au--level at sites a and b due to their different distances from the third center. As a result, the original pair is able to reach a new ground state Au° (a) + Au- (b) through a slow spontaneous tunnel transition. The probability of this transition, when it is accompanied by an emission of a low energy photon, is calculated explicitly.

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