Parsorbitalm ethode, 6. Mitt. : 1Charakterordnungen angeregter Zustände 2/ Character Orders of Excited States

1974 ◽  
Vol 29 (3) ◽  
pp. 529-530
Author(s):  
Oskar E. Polansky
Keyword(s):  
Excited States ◽  
Triplet States ◽  
Reaction Paths ◽  
Excited Singlet ◽  
Complete Neglect ◽  
Singlet And Triplet States

In spite of the complete neglect of spins in HMO theory different character orders are obtained for the lowest excited singlet and triplet states. Since 3φʟ* > 1φʟ*, possibly the typical reaction paths of tripletts are mainly determined by electronic factors

scholarly journals Photophysical Properties of Nitrated and Halogenated Phosphorus Tritolylcorrole Complexes: Insights from Theory

Molecules ◽  
2018 ◽  
Vol 23 (11) ◽  
pp. 2779 ◽  
Author(s):  
Marta Alberto ◽  
Bruna De Simone ◽  
Gloria Mazzone ◽  
Nino Russo ◽  
Marirosa Toscano
Keyword(s):  
Excited States ◽  
Density Functional ◽  
Energy Gap ◽  
Photophysical Properties ◽  
Intersystem Crossing ◽  
Triplet States ◽  
Excited Singlet ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Singlet And Triplet States

The photophysical properties of a series of nitrated and halogenated phosphorus tritolylcorrole complexes were studied in dichloromethane solvent by using the density functional theory. Particular emphasis was given to the absorption spectra, the energy gap between the excited singlet and triplet states, and the magnitude of the spin-orbit couplings for a series of possible intersystem crossing channels between those excited states. The proposed study provides a better description of the photophysical properties of these systems while giving insights into their possible use as photosensitizers in photodynamic therapy.

Emission and Deactivation of the Excited States of 2,3-Pentanedione

1972 ◽  
Vol 50 (9) ◽  
pp. 1338-1344 ◽  
Author(s):  
A. W. Jackson ◽  
A. J. Yarwood
Keyword(s):  
Triplet State ◽  
Gas Phase ◽  
Excited States ◽  
Singlet State ◽  
Triplet States ◽  
Excited Singlet ◽  
Vibrationally Excited ◽  
Singlet Level ◽  
Singlet And Triplet States ◽  
Fluorescence And Phosphorescence

Vibrationally excited singlet and triplet states of 2,3-pentanedione are formed by photolysis at 365 nm. The processes removing these excited states in the gas phase are studied by measuring the fluorescence and phosphorescence yields. Fluorescence can occur from the vibrationally excited, as well as the vibrationally equilibrated, singlet state. The fluorescence and phosphorescence data are considered in terms of mechanisms which involve either weak or strong collisions. Although the data cannot distinguish between the alternatives, there are two significant conclusions. The fluorescence data require that emission occur from at least two levels in the singlet manifold. To explain the phosphorescence data, the highest emitting singlet level must not lead to a vibrationally equilibrated triplet state.

scholarly journals Organic molecules with inverted gaps between first excited singlet and triplet states and appreciable fluorescence rates

Matter ◽  
2021 ◽  
Author(s):  
Robert Pollice ◽  
Pascal Friederich ◽  
Cyrille Lavigne ◽  
Gabriel dos Passos Gomes ◽  
Alán Aspuru-Guzik
Keyword(s):  
Organic Molecules ◽  
Triplet States ◽  
Excited Singlet ◽  
Singlet And Triplet States

Photochemical reactions of 2,2?-furil. Solvent dependent photoreduction via the lowest excited singlet and triplet states

1992 ◽  
Vol 5 (6) ◽  
pp. 355-360 ◽  
Author(s):  
Hiroyasu Inoue ◽  
Tadamitsu Sakurai ◽  
Toshihiko Hoshi ◽  
Isao Ono ◽  
Jun Okubo
Keyword(s):  
Photochemical Reactions ◽  
Triplet States ◽  
Excited Singlet ◽  
Singlet And Triplet States

scholarly journals Exploiting trifluoromethyl substituents for tuning orbital character of singlet and triplet states to increase the rate of thermally activated delayed fluorescence

2020 ◽  
Vol 4 (12) ◽  
pp. 3602-3615 ◽  
Author(s):  
Jonathan S. Ward ◽  
Andrew Danos ◽  
Patrycja Stachelek ◽  
Mark A. Fox ◽  
Andrei S. Batsanov ◽  
...  
Keyword(s):  
Excited States ◽  
Organic Molecules ◽  
Delayed Fluorescence ◽  
Triplet States ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Conjugated Organic Molecules ◽  
Singlet And Triplet States ◽  
Triplet Excited States ◽  
Orbital Character

This work shows that trifluoromethyl (CF3) substituents can be used to increase the rate of thermally activated delayed fluorescence (TADF) in conjugated organic molecules by tuning the excitonic character of the singlet and triplet excited states.

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