ChemInform Abstract: Tuning the Photophysical Properties of anti-B18H22: Efficient Intersystem Crossing Between Excited Singlet and Triplet States in New 4,4′-(HS)2-anti-B18H20.

ChemInform ◽  
2013 ◽  
Vol 44 (42) ◽  
pp. no-no
Author(s):  
Josep M. Oliva ◽  
et al. et al.
Keyword(s):  
Photophysical Properties ◽  
Intersystem Crossing ◽  
Triplet States ◽  
Excited Singlet ◽  
Singlet And Triplet States

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.

Tuning the Photophysical Properties ofanti-B18H22: Efficient Intersystem Crossing between Excited Singlet and Triplet States in New 4,4′-(HS)2-anti-B18H20.

2013 ◽  
Vol 52 (16) ◽  
pp. 9266-9274 ◽  
Author(s):  
Vicenta Saurí ◽  
Josep M. Oliva ◽  
Drahomír Hnyk ◽  
Jonathan Bould ◽  
Jakub Braborec ◽  
...  
Keyword(s):  
Photophysical Properties ◽  
Intersystem Crossing ◽  
Triplet States ◽  
Excited Singlet ◽  
Singlet And Triplet States

The mechanism of the gas phase photolysis of acetone

1966 ◽  
Vol 290 (1423) ◽  
pp. 563-582 ◽  
Keyword(s):  
Gas Phase ◽  
Order Rate Constant ◽  
Electronic Energy ◽  
Intersystem Crossing ◽  
Triplet States ◽  
Excited Singlet ◽  
First Order ◽  
Electronic Energy Transfer ◽  
Vibrational Levels ◽  
Singlet And Triplet States

A mechanism for the photolysis of acetone has been derived from experimental data including studies on the photosensitized isomerization of olefines. Dissociation into methyl and acetyl radicals occurs from both the first excited singlet and triplet states; the rate constants for excitation by light of 3130 Å wavelength are 2.5 x 10 16 exp ( —16900/ RT ) and 2.5 x 10 10 exp ( — 6400/ RT ) 1. mole -1 s -1 respectively. At low intensities of absorption, decomposition of acetyl radicals predominates over radical-radical interactions. The triplet state is extensively populated at moderate temperatures, the yield at 48 °C being 0.98. The low phosphorescence efficiency of acetone can be ascribed to intersystem crossing to the ground state for which the first order rate constant is 1.25 x 10 5 s -1 . The isomerization data requires the recognition of at least two vibrational levels of the acetone triplet, the rate of electronic energy transfer depending upon the excess energy possessed by the donor

Spectroscopic and quantum chemical characterization of the ground and lowest excited singlet and triplet states of halo- and nitro-harmines in aqueous media

2021 ◽  
Author(s):  
Maria Paula Denofrio ◽  
Fernando Diego Villarruel ◽  
Rosa Erra-Balsells ◽  
Peter R Ogilby ◽  
Ezequiel Wolcan ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Photophysical Properties ◽  
Aqueous Media ◽  
Chemical Characterization ◽  
Triplet States ◽  
Excited Singlet ◽  
Singlet And Triplet States ◽  
Biotechnological Processes

Halogenated and nitro β-carboline (βCs) alkaloids have garnered increasing interest for their role in a broad range of biological, pharmacological and biotechnological processes. Addressing their spectroscopic and photophysical properties provide...

Sign in / Sign up

Export Citation Format

Share Document