Results 71 to 80 of about 299,211 (194)
Halogen Bonding Facilitates Intersystem Crossing in Iodo-BODIPY Chromophores
, 2020 BODIPY chromophores can serve as organic-based triplet photosensitizers for a wide range of applications. To perform this function, the formation of the triplet state is critical, and a better understanding of how to modulate the formation of the triplet
David M. Chenoweth (1273530) +3 more
core +1 more source
Femtosecond Intersystem Crossing in the DNA Nucleobase Cytosine [PDF]
The Journal of Physical Chemistry Letters, 2012 Ab initio molecular dynamics including non-adiabatic and spin-orbit couplings on equal footing is used to unravel the deactivation of cytosine after UV light absorption. Intersystem crossing (ISC) is found to compete directly with internal conversion in tens of femtoseconds, thus making cytosine the organic compound with the fastest triplet population ...
Richter, Martin +4 more
openaire +3 more sources
Understanding H-aggregates crystallization induced emissive behavior: insights from theory
Scientific Reports, 2023 We conducted a theoretical investigation into how the molecular stacking effect impacts the photophysical properties in solid phases. Our findings indicated that in the aggregated state, the out-of-plane distorted vibration and imidazole ring stretching ...
Huixue Li +4 more
doaj +1 more source
The interplay of different relaxation channels in the excited state dynamics of photoinitiators
EPJ Web of Conferences, 2013 Different photoinitiators are investigated by femtosecond transient absorption spectroscopy and DFT calculations. Their initiation properties are critically governed by competition between intersystem crossing, fluorescence and internal conversion partly
Barner-Kowollik C. +5 more
doaj +1 more source
Spin Photochemistry: Electron Spin Multiplicity as a Tool for Reactivity and Selectivity Control
CHIMIA, 2021 Spin chemistry involving small organic molecules without heavy atoms is highly sensitive to spin-orbit-coupling (SOC) modulating biradical conformation as well as hyperfine coupling (HFC) modulating magnetic isotope interactions. Several easily available
Axel G. Griesbeck, Seyma Bozkus
doaj +1 more source
International Journal of Photoenergy, 2002 The time-resolved photothermal methods are used in order to establish the yield of intersystem (singlet-triplet) crossing of dyes that are candidates for the application in photodynamic therapy.
Danuta Frackowiak +4 more
doaj +1 more source
Molecules, 2017 6-Thioguanine, an immunosuppressant and anticancer prodrug, has been shown to induce DNA damage and cell death following exposure to UVA radiation. Its metabolite, 6-thioguanosine, plays a major role in the prodrug’s overall photoreactivity.
Brennan Ashwood +2 more
doaj +1 more source
Molecules, 2020 Multi-state n-electron valence state second order perturbation theory (MS-NEVPT2) was utilized to reveal the photorelaxation pathways of 4-(N,N-dimethylamino)-4′-nitrostilbene (DANS) upon S1 excitation.
Ziyue He +4 more
doaj +1 more source
The Intersystem Crossing Mechanism of an Ultrapure Blue Organoboron Emitter
, 2018 Data underpinning the results presented in the paper: The Intersystem Crossing Mechanism of an Ultrapure Blue Organoboron Emitter Published in organic ...
T Northey (7836131), T Penfold (7836128)
core +1 more source
Highly sensitive switching of solid-state luminescence by controlling intersystem crossing
Nature Communications, 2018 The development of intelligent materials, in particular those showing the highly sensitive mechanoresponsive luminescence (MRL), remains challenging. Here the authors report a strategy for constructing high performance On-Off MRL materials by introducing
Weijun Zhao +10 more
doaj +1 more source