This work deals with the photophysics of novel pyridinium betaine based on 2-pyridin-1-yl-1H-benzimidazole (SBPa) substituted symmetrically by mono- (Th2SBPa) and bi-thiophene fragments (Th4SBPa). The study is based on a combination of steady-state, femtosecond transient absorption spectroscopic measurements supported by PCM-(TD)DFT calculations. It is found that the two step ICT process (S0 → S2 excitation followed by S2(CT) → S1(CT) internal conversion) occurring for the parent molecule remains unaffected for Th2SBPa while the situation is less clear for Th4SBPa. Actually, for both molecules, a new decay route involving the π-electron system localized in thiophenic groups is responsible for the production of triplet states. Involvement of this new route in the parallel production of S1(CT) is strongly suspected.
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http://dx.doi.org/10.1039/c3cp53614a | DOI Listing |
J Chem Theory Comput
January 2025
HUN-REN Wigner Research Centre for Physics, P.O. Box 49, H-1525 Budapest, Hungary.
Nat Commun
January 2025
Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, 999077, China.
As the investigation of high efficiency thermally activated delayed fluorescence (TADF) materials become more mature, regulating the emission properties for single organic luminescence molecules has gained increasing interest recently. Herein, the donor-acceptor compounds F-AQ comprised of fluorene and anthraquinone is reported, and it exhibits a polymorphism with muti-color emission and TADF from high-level intersystem crossing (hRISC). The photodynamics and excited-state transient species were studied by femtosecond transient absorption (fs-TA) spectroscopy.
View Article and Find Full Text PDFAcc Chem Res
January 2025
Department of Chemistry, Seoul National University, Seoul 151-747, South Korea.
ConspectusWhile traditional quantum chemical theories have long been central to research, they encounter limitations when applied to complex situations. Two of the most widely used quantum chemical approaches, Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TDDFT), perform well in cases with relatively weak electron correlation, such as the ground-state minima of closed-shell systems (Franck-Condon region). However, their applicability diminishes in more demanding scenarios.
View Article and Find Full Text PDFLight Sci Appl
January 2025
Center for Nanoscience and Technology, Istituto Italiano di Tecnologia, Milano, 20134, Italy.
We introduce a family of membrane-targeted azobenzenes (MTs) with a push-pull character as a new tool for cell stimulation. These molecules are water soluble and spontaneously partition in the cell membrane. Upon light irradiation, they isomerize from trans to cis, changing the local charge distribution and thus stimulating the cell response.
View Article and Find Full Text PDFChemistry
December 2024
Indian Institute of Technology Kanpur, Chemistry, Department of Chemistry, Indian Institute of Technology Kanpur, 208016, Kanpur, INDIA.
Herein, the photophysical, photochemical properties and photogenerated excited state dynamics of two new Ru(II) complexes, viz. [Ru(p-ttp)(bpy)(PTA)]2+ [1]2+, [Ru(p-ttp)(phen)(PTA)]2+ [2]2+ having a phosphorus-based ligand PTA [p-ttp = p-tolyl terpyridine; bpy = 2,2'-bipyridyl; phen = 1,10-phenthroline and PTA = 1,3,5-triaza-7-phosphaadamantane] are reported. Upon excitation with 470 nm LED, [1]2+ and [2]2+ neither undergo ligand release nor exhibit room temperature luminescence/1O2 generation.
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