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Journal articles on the topic 'Undergoes intersystem crossing'

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

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1

Fuat, Bayrakcekena, B. Jomehri Behzad, and Yaman Ali. "Photophysical properties of 5H-dibenzo[a,d]cycloheptene in solution." Journal of Indian Chemical Society Vol. 78, May 2001 (2001): 234–36. https://doi.org/10.5281/zenodo.5872863.

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Department of Electronics Engineering, Yeditepe University, Uskudar 81160, Istanbul, Turkey Department of Engineering Physics, Department of Physics, Ankara University, Tandogan 06100 Ankara, Turkey <em>E-mail</em> : ayaman@science.ankara.edu.tr   <em> Fax</em> : 90-312-2232395 <em>Manuscript received 21 February 2000, revised 29 September 2000, accepted 8 December 2000</em> A number of photophysical properties of 5<em>H</em>-dibenzo[<em>a,d</em>]cycloheptene have been measured including the decay parameters of the lowest excited singlet and triplet states. Molecules were excited in

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2

Cruz, Chad D., Jennifer Yuan, Clàudia Climent, et al. "Using sulfur bridge oxidation to control electronic coupling and photochemistry in covalent anthracene dimers." Chemical Science 10, no. 32 (2019): 7561–73. http://dx.doi.org/10.1039/c8sc05598j.

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For anthracene dimers bridged by a sulfur atom, modulating the sulfur oxidation state profoundly affects excited state behavior. The SO<sub>2</sub>-bridge supports long-lived states and photodimerization, while the S-bridge undergoes intersystem crossing.

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3

Ghosh, Rajib, Amitabha Nandi, and Dipak K. Palit. "Solvent sensitive intramolecular charge transfer dynamics in the excited states of 4-N,N-dimethylamino-4′-nitrobiphenyl." Physical Chemistry Chemical Physics 18, no. 11 (2016): 7661–71. http://dx.doi.org/10.1039/c5cp07778h.

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Solvent sensitive excited state dynamics of DNBP is explored. In polar solvents, the ultrafast barrierless TICT process is the major relaxation pathway, whereas, in nonpolar solvents the excited state undergoes the PICT process, followed by efficient intersystem crossing to the triplet state.

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4

Carroll, Mary K., and Gary M. Hieftje. "A Novel Fiber-Optic-Based Pump-Probe Instrument for the Acquisition of Kinetic Information." Applied Spectroscopy 46, no. 2 (1992): 317–21. http://dx.doi.org/10.1366/0003702924125465.

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A pump-probe instrument is described that utilizes two beams from the same laser and a fiber-optic-based sample cell for low-temperature measurements. The utility of this instrument is demonstrated through an examination of the excited-state kinetics of 2,7-diphenylphenanthrene, for which the rate constant of singlet-to-triplet intersystem crossing is found to be approximately 8 × 105 s−1. This molecule is interesting in that it undergoes an unusual rotational conformation change in the triplet state with a rate constant of 2.4 × 108 s−1 at 77 K.

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5

Muthukrishnan, Sivaramakrishnan, Tamara C. S. Pace, Qian Li, et al. "Comparison of photoenolization and alcohol release from alkyl-substituted benzoyl benzoic esters." Canadian Journal of Chemistry 89, no. 3 (2011): 331–38. http://dx.doi.org/10.1139/v10-161.

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Photolysis of 1B in argon-saturated solutions yields 4B and releases methanol. Laser flash photolysis of 1B shows formation of biradical 2B, which has a lifetime of ~50 ns and a λmax at 330 nm. Biradical 2B undergoes an intersystem crossing to form photoenols E-3B and Z-3B with a λmax at 390 nm. Laser flash photolysis shows that the lifetimes of E-3B and Z-3B are affected by the solvent. Density functional theory calculations demonstrate that the transition-state barrier for a 1,5-H atom shift from Z-3B to regenerate 1B is affected by the ortho-alkyl substituents, whereas the stereoelectronics

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6

Čeklovský, Alexander, and Shinsuke Takagi. "Oxygen sensing materials based on clay/metalloporphyrin hybrid systems." Open Chemistry 11, no. 7 (2013): 1132–36. http://dx.doi.org/10.2478/s11532-013-0238-z.

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AbstractThis study was focused on the investigation of novel hybrid organo/inorganic systems for oxygen sensing applications. As a host material, a synthetic clay mineral Sumecton SA was chosen, while, as guest materials, metalloporphyrins containing Pt(II) and Pd(II) were chosen. These are known to be very efficient agents for sensing applications because of a “heavy atom effect”. This effect promotes a spin-orbit coupling, resulting in the fact that almost all of the radiation from a singlet excited state undergoes intersystem crossing, followed by a de-excitation via a triplet state. The co

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7

Lee, Richmond, and Michelle L. Coote. "Theoretical Investigation of Oxidative Cleavage of Cholesterol by Dual O2 Activation and Sulfide Reduction." Australian Journal of Chemistry 69, no. 9 (2016): 933. http://dx.doi.org/10.1071/ch16093.

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Theoretical calculations are used to explore a plausible mechanism for oxidative cleavage of cholesterol mediated by two ground-state O2 molecules. It is shown that cholesterol can form a stable pre-complex with the two triplet dioxygen molecules, which could be further stabilized in an enzyme environment by methionine (modelled here as Me2S). Triplet O2 can then react to form a metastable biradical species that is then further stabilized by reaction with a second triplet O2, resulting in an intermediate that undergoes an intersystem crossing to form a diperoxy intermediate. This in turn is re

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8

Bathellier, Camille, Li-Juan Yu, Graham D. Farquhar, Michelle L. Coote, George H. Lorimer, and Guillaume Tcherkez. "Ribulose 1,5-bisphosphate carboxylase/oxygenase activates O2 by electron transfer." Proceedings of the National Academy of Sciences 117, no. 39 (2020): 24234–42. http://dx.doi.org/10.1073/pnas.2008824117.

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Ribulose 1,5-bisphosphate carboxylase/oxygenase (Rubisco) is the cornerstone of atmospheric CO2 fixation by the biosphere. It catalyzes the addition of CO2 onto enolized ribulose 1,5-bisphosphate (RuBP), producing 3-phosphoglycerate which is then converted to sugars. The major problem of this reaction is competitive O2 addition, which forms a phosphorylated product (2-phosphoglycolate) that must be recycled by a series of biochemical reactions (photorespiratory metabolism). However, the way the enzyme activates O2 is still unknown. Here, we used isotope effects (with 2H, 25Mg, and 18O) to moni

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9

O’Sullivan, Stephen, Leila Tabrizi, Kaja Turzańska, Ian P. Clark, Deirdre Fitzgerald-Hughes, and Mary T. Pryce. "Photophysical Properties and Protein Binding Studies of Piperazine-Substituted Anthracene-BODIPY Dyads for Antimicrobial Photodynamic Therapy." Molecules 30, no. 13 (2025): 2727. https://doi.org/10.3390/molecules30132727.

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This work presents the synthesis, characterisation, photophysical properties, time-resolved spectroscopic behaviour, and biological evaluation of two structurally distinct heavy-atom-free BODIPY-anthracene dyads (BDP-1) and the newly designed 2,6-bis[1-(tert-butyl) 4-(prop-2-yn-1-yl) piperazine-1,4-dicarboxylate] BODIPY-anthracene (BDP-2), incorporating 2,6-alkynyl-piperazine substituents for potential application in antimicrobial photodynamic therapy. BDP-1 exhibits absorption and emission maxima at 507 nm and 516 nm, respectively, with a Stokes shift of 344 cm−1 in dichloromethane (DCM), cha

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10

Cho, Eunkyung, Minki Hong, Yu Seok Yang, Yong Joo Cho, Veaceslav Coropceanu, and Jean-Luc Brédas. "Energy transfer processes in hyperfluorescent organic light-emitting diodes." Journal of Materials Chemistry C 10, no. 12 (2022): 4629–36. http://dx.doi.org/10.1039/d1tc05090g.

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In an efficient hyperfluorescent ternary blend, most of the singlet excitons from the TADF sensitizers will efficiently transfer to the emitters while the triplet excitons will first undergo a reverse intersystem crossing transition.

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11

Horgan, Conor C., Yong-Shen Han, Holly Trueman, Colin J. Jackson, Tara D. Sutherland, and Trevor D. Rapson. "Phosphorescent oxygen-sensing and singlet oxygen production by a biosynthetic silk." RSC Advances 6, no. 46 (2016): 39530–33. http://dx.doi.org/10.1039/c6ra03731c.

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A recombinant coiled-coil silk was utilised to immobilise heavy-metal-macrocycles which are known to undergo efficient intersystem crossing from the singlet state to the triplet state following excitation with visible light.

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12

Atabekyan, Levon S., Vitaly G. Avakyan, Marina V. Fomina, et al. "Photoprocesses in Bis-Diethylamino Derivatives of 1,4- and 1,3-Distyrylbenzene." Molecules 29, no. 17 (2024): 4139. http://dx.doi.org/10.3390/molecules29174139.

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The photoprocesses of diethylamino derivatives of 1,4- and 1,3-distyrylbenzenes in MeCN were studied using absorption, luminescence, 1H NMR, and laser kinetic spectroscopy. Compounds 1 and 2 undergo intersystem crossing to the triplet state and exhibit delayed fluorescence. It was concluded that dye radical anions and radical cations are formed upon dismutation of the triplet state in the presence of an electron donor or acceptor. Quantum mechanical calculations for the structures of diethylamino distyrylbenzenes in the ground and excited states were carried out, making it possible to establis

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13

Ogunsipe, Abimbola, Tebello Nyokong, and Mahmut Durmuş. "Photophysical, photochemical and bovine serum albumin binding studies on water-soluble gallium(III) phthalocyanine derivatives." Journal of Porphyrins and Phthalocyanines 11, no. 09 (2007): 635–44. http://dx.doi.org/10.1142/s1088424607000746.

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Spectral, photophysical, photochemical and bovine serum albumin binding studies on some gallium(III) derivatives - {1,(4)-(tetrapyridyloxyphthalocyaninato)gallium(III), (α GaPc ); 2,(3)-(tetrapyridyloxyphthalocyaninato)gallium(III), (β GaPc ); and their quaternized derivatives: Q α GaPc and Q β GaPc )} are hereby presented. β-Substituted complexes are more fluorescent, but show lower tendencies to undergo intersystem crossing than the α-substituted, as judged by their fluorescence and triplet quantum yield values. The quaternized derivatives ( QGaPc ) are water-soluble and non-aggregated, whic

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14

Banerjee, Upasana, William L. Karney, Bruce S. Ault, and Anna D. Gudmundsdottir. "Photolysis of 5-Azido-3-Phenylisoxazole at Cryogenic Temperature: Formation and Direct Detection of a Nitrosoalkene." Molecules 25, no. 3 (2020): 543. http://dx.doi.org/10.3390/molecules25030543.

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To enhance the versatility of organic azides in organic synthesis, a better understanding of their photochemistry is required. Herein, the photoreactivity of azidoisoxazole 1 was characterized in cryogenic matrices with IR and UV-Vis absorption spectroscopy. The irradiation (λ = 254 nm) of azidoisoxazole 1 in an argon matrix at 13 K and in glassy 2-methyltetrahydrofuran (mTHF) at 77 K yielded nitrosoalkene 3. Density functional theory (DFT) and complete active space self-consistent field (CASSCF) calculations were used to aid the characterization of nitrosoalkene 3 and to support the proposed

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15

Li, Yujie, Xuefeng Hu, Hao Xie, Beichuan Cai, and Yaxing Bai. "Photochlorination of Anthracene in Saline Ice under Simulated Solar Light." Water 16, no. 9 (2024): 1237. http://dx.doi.org/10.3390/w16091237.

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Polycyclic aromatic hydrocarbons (PAHs) can undergo photochemical reactions in chlorine-containing environments, generating chlorinated polycyclic aromatic hydrocarbons (ClPAHs). This phenomenon has been confirmed in aqueous and soil environments, while was previously overlooked in saline ice. Thus, this study aimed to investigate the photochemical chlorination behavior of anthracene (ANT) in saline ice. Under photoexcitation, the ground state ANT generates the singlet state ANT (1ANT*), which is transformed into the triplet state ANT (3ANT*) via intersystem crossing. Simultaneously, the oxyge

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16

Ohta, Nobuhiro. "Effects of Molecular Vibration and Rotation on Intramolecular Dynamics in S1 of s-Triazine Vapor." Laser Chemistry 10, no. 2 (1989): 109–38. http://dx.doi.org/10.1155/1989/78054.

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Emission properties of s-triazine vapor have been examined for excitation into various vibronic levels of S1. The emission involves broad fluorescence besides the sharp fluorescence emitted from the initially prepared vibronic level (IPL). At low pressures, the IPL fluorescence exhibits a biexponential decay composed of fast and slowly decaying portions, and the broad fluorescence also consists of fast and slow components with lifetimes comparable to those of the IPL fluorescence. The broad fluorescence exhibits another slow component, which is characterized by a less tendency to undergo colli

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17

Fedotova, T. V., G. V. Zakharova, and A. K. Chibisov. "Photoprocesses of Bisthiacarbocyanine Dyes in the Presence of Cucurbit[7,8]urils in Water." Химия высоких энергий 57, no. 4 (2023): 282–89. http://dx.doi.org/10.31857/s0023119323040095.

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Spectral, spectral–kinetic, and photochemical properties of bisthiacarbocyanine (bis-TCC) dyes, based on 3,3′-dimethylthiacarbocyanine perchlorate, in water have been studied. The existence of two bis-TCC forms absorbing in the long-wavelength (monomeric form) and short-wavelength (dimeric form) spectral regions has been revealed. The monomeric form of bis-TCC is capable of fluorescence, photoisomerization, and transition to the triplet state. The dimeric form is characterized by effective intersystem crossing, the almost complete absence of fluorescence, and photoisomerization. Both the monom

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18

Wonanke, A. D. Dinga, and Deborah L. Crittenden. "Beyond the Woodward-Hoffman Rules: What Controls Reactivity in Eliminative Aromatic Ring-Forming Reactions?" Australian Journal of Chemistry 71, no. 4 (2018): 249. http://dx.doi.org/10.1071/ch17564.

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The Mallory (photocyclization) and Scholl (thermal cyclohydrogenation) reactions are widely used in the synthesis of extended conjugated π systems of high scientific interest and technological importance, including molecular wires, semiconducting polymers, and nanographenes. While simple electrocyclization reactions obey the Woodward-Hoffman rules, no such simple, general, and powerful model is available for eliminative cyclization reactions due to their increased mechanistic complexity. In this work, detailed mechanistic investigations of prototypical reactions reveal that there is no single

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19

Dufresne, Stéphane, Thomas Skalski, and W. G. Skene. "Insights into the effect of ketylimine, aldimine, and vinylene group attachment and regiosubstitution on the fluorescence deactivation of fluorene." Canadian Journal of Chemistry 89, no. 2 (2011): 173–80. http://dx.doi.org/10.1139/v10-089.

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The spectroscopic and electrochemical properties of a 9-substituted fluorene ketylimine (3) were investigated and compared with those of its vinylene analogue (4) to determine the origins of the quenched fluorescence of these compounds. The predominate mode of singlet excited state deactivation of the heteroatomic fluorene was found to be internal conversion involving bond rotation. Meanwhile, its carbon counterpart was found to undergo deactivation preferentially by intersystem crossing to form its triplet, which was confirmed by laser flash photolysis. Both 3 and 4 quenched the fluorescence

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20

Blanch, Rodney J., and Curt Wentrup. "Trifluoromethylphenylcarbenes. Carbene-Carbene Interconversion on the Singlet Energy Surface and Rearrangement to Trifluorobenzocyclobutene, Trifluorostyrene, and Trifluoromethylfulvenallenes." Australian Journal of Chemistry 68, no. 1 (2015): 36. http://dx.doi.org/10.1071/ch14097.

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The four isomeric α-, ortho-, meta-, and para-trifluoromethylphenylcarbenes were generated by photolysis of the corresponding 3-phenyl-3-trifluoromethyldiazirene 1 or the four isomeric trifluoromethylphenyldiazomethanes 2 and 4–6. The four corresponding triplet trifluoromethylphenylcarbenes 3 and 7–9 were observed by electron spin resonance (ESR) spectroscopy in Ar matrices at 14 K. The α- and ortho-carbenes 3 and 7 and the ortho- and para-carbenes 7 and 9 interconvert partially when generated by short-wavelength photolysis (350 nm) before intersystem crossing to the triplet states. The triple

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21

Vullev, Valentine I., Daniel T. Gryko, Katarzyna Rybicka-Jasińska, et al. "Electron-Deficient Metal-Free Organic Conjugates." ECS Meeting Abstracts MA2025-01, no. 17 (2025): 1256. https://doi.org/10.1149/ma2025-01171256mtgabs.

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The advent of carbon electronics and photonics places increasing demands on the diversity of the electronic properties of organic conjugates. In comparison to their inorganic counterparts, majority of organic molecular and supramolecular structures tend to be electron rich, ensuring p-type characteristics of the materials they compose. Conversely, n-type organics are few and far between. With relatively high reduction potentials, the imides and diimides of aromatic hydrocarbons are good candidates for n-type organic materials. Perylene diimides (PDI) some of the most broadly used electron-defi

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22

Du, Lili, Juanjuan Wang, Yunfan Qiu, et al. "Generation and direct observation of a triplet arylnitrenium ion." Nature Communications 13, no. 1 (2022). http://dx.doi.org/10.1038/s41467-022-31091-z.

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AbstractNitrenium ions are important reactive intermediates in both chemistry and biology. Although singlet nitrenium ions are well-characterized by direct methods, the triplet states of nitrenium ions have never been directly detected. Here, we find that the excited state of the photoprecursor partitions between heterolysis to generate the singlet nitrenium ion and intersystem crossing (ISC) followed by a spontaneous heterolysis process to generate the triplet p-iodophenylnitrenium ion (np). The triplet nitrenium ion undergoes ISC to generate the ground singlet state, which ultimately undergo

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23

Zhao, Jingjing, Jingwen Xu, Huaxi Huang, et al. "Appending Coronene Diimide with Carbon Nanohoops Allows for Rapid Intersystem Crossing in Neat Film." Angewandte Chemie International Edition, March 8, 2024. http://dx.doi.org/10.1002/anie.202400941.

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The development of innovative triplet materials plays a significant role in various applications. Although effective tuning of triplet formation by intersystem crossing (ISC) has been well established in solution, the modulation of ISC processes in the solid state remains a challenge due to the presence of other exciton decay channels through intermolecular interactions. The cyclic structure of cycloparaphenylenes (CPPs) offers a unique platform to tune the intermolecular packing, which leads to controllable exciton dynamics in the solid state. Herein, by integrating an electron deficient coro

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Zhao, Jingjing, Jingwen Xu, Huaxi Huang, et al. "Appending Coronene Diimide with Carbon Nanohoops Allows for Rapid Intersystem Crossing in Neat Film." Angewandte Chemie, March 8, 2024. http://dx.doi.org/10.1002/ange.202400941.

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The development of innovative triplet materials plays a significant role in various applications. Although effective tuning of triplet formation by intersystem crossing (ISC) has been well established in solution, the modulation of ISC processes in the solid state remains a challenge due to the presence of other exciton decay channels through intermolecular interactions. The cyclic structure of cycloparaphenylenes (CPPs) offers a unique platform to tune the intermolecular packing, which leads to controllable exciton dynamics in the solid state. Herein, by integrating an electron deficient coro

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25

Li, Jiayu, Sirui Yang, Ziqi Deng, et al. "Uncovering the substituted-position effect on excited-state evolution of benzophenone-phenothiazine dyads." Journal of Chemical Physics 159, no. 14 (2023). http://dx.doi.org/10.1063/5.0166630.

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Photofunctional materials based on donor-acceptor molecules have drawn intense attention due to their unique optical properties. Importantly, Systematic investigation of substitution effects on excited-state charge transfer dynamics of donor-acceptor molecules is a powerful approach for identifying application-relevant design principles. Here, by coupling phenothiazine (PTZ) at the ortho-, meta-, and para-positions of the benzene ring of benzophenone (BP), three regioisomeric BP-PTZ dyads were designed to understand the relationship between substituted positions and excited-state evolution cha

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26

Zhang, Weijie, Yunxia Lv, Fangjun Huo, Yang Yun, and Caixia Yin. "Photoactivation Inducing Multifunctional Coupling of Fluorophore for Efficient Tumor Therapy in Situ." Advanced Materials, February 15, 2024. http://dx.doi.org/10.1002/adma.202314021.

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AbstractPhotoactivatable molecules, with high‐precision spatial and temporal control, have largely promoted bioimaging and phototherapy applications, particularly for fluorescent dyes. Here, we described the first photoactivatable sensor (BI) that can be triggered by broad excitation light (405‐660 nm), which further undergoes ISC (intersystem crossing) and HAT (H‐atom transfer) processes to the formation of superoxide anion radicals (O2−•) and carbon radicals. Particularly, the photoinduced gain of carbon‐centered radicals (BI•) allows for radical‐radical coupling to afford the combined cross

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27

Zou, Jianhua, Ling Li, Zhen Yang, and Xiaoyuan Chen. "Phototherapy meets immunotherapy: a win–win strategy to fight against cancer." Nanophotonics, July 13, 2021. http://dx.doi.org/10.1515/nanoph-2021-0209.

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Abstract Phototherapy usually includes photodynamic therapy (PDT) and photothermal therapy (PTT) to induce cell death. PDT utilizes the sensitization of the photosensitizers to generate reactive oxygen species by the intersystem crossing while PTT undergoes nonradiative decay to generate heat. Cancer immunotherapy has evolved as a new therapeutic modality to eradicate tumor cells by activating antigen-presenting cells, and thus, inducing innate or adaptive immune responses. Phototherapy is able to stimulate the immune system, usually by inducing immunogenic cell death (ICD). Photoimmunotherapy

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28

Cao, Ling, Yanmei Wang, Xin Lu, and Song Zhang. "Investigation on the vibrational relaxation and ultrafast electronic dynamics of S1 state in 2,4-difluoroanisole." Journal of Chemical Physics 161, no. 12 (2024). http://dx.doi.org/10.1063/5.0231264.

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Intramolecular vibrational energy redistribution (IVR) has a profound impact on dynamic processes. We have studied two types of IVR processes, restricted and dissipative, and ultrafast dynamics of the S1 state of 2,4-difluoroanisole using time-resolved photoelectron spectroscopy and time-of-flight mass spectroscopy. The restricted IVR occurs in the intermediate regime of 219 cm−1 vibrational level, and the dissipative IVR occurs in the statistical regime of 1200 cm−1. The lifetimes of IVR processes are measured to be 90 and 11 ps, respectively, depending on the internal energies of the S1 stat

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29

Gu, Qinying, Sebastian Gorgon, Alexander S. Romanov, Feng Li, Richard H. Friend, and Emrys W. Evans. "Fast transfer of triplet to doublet excitons from organometallic host to organic radical semiconductors." Advanced Materials, May 31, 2024. http://dx.doi.org/10.1002/adma.202402790.

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AbstractSpin triplet exciton formation sets limits on technologies using organic semiconductors that are confined to singlet‐triplet photophysics. In contrast, excitations in the spin doublet manifold in organic radical semiconductors can show efficient luminescence. Here we explore the dynamics of the spin allowed process of intermolecular energy transfer from triplet to doublet excitons. We employ a carbene‐metal‐amide (CMA‐CF3) as a model triplet donor host, since following photoexcitation it undergoes extremely fast intersystem crossing to set up a population of triplet excitons within 4 p

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Tamuly, Parag, Ajay Kumar Sahoo, Navin Yadav, and Jarugu Narasimha Moorthy. "Porous Organic Polymers (POPs) Based on Acridone as Heterogeneous Photocatalysts for Oxidative Dimerization and Cyclocondensation Reactions." ChemCatChem, May 22, 2024. http://dx.doi.org/10.1002/cctc.202400433.

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Porous organic polymers (POPs) are emergent tailor‐made materials, which can be accessed by covalent polymerization of diligently designed molecular building blocks in a bottom‐up fashion. Acridone, a well‐known chromophore that undergoes intersystem crossing (ISC) with near‐unity quantum yield akin to benzophenone, was structurally elaborated into a building block and subjected to Friedel‐Crafts polyalkylation to afford a series of POPs, namely, Ac‐MePOP, Ac‐OMePOP, and Ac‐CBPOP. These POPs exhibit remarkable porosity and significant absorption in the visible region. Of the three polymers, Ac

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Zhang, Cuihong, Yu Xia, Xiangkun Wu, et al. "Vacuum ultraviolet photoionization and dissociative photoionization of acetyl (CH3CO) and vinoxy (CH2CHO) radicals." Journal of Chemical Physics 162, no. 17 (2025). https://doi.org/10.1063/5.0268925.

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The vacuum ultraviolet photoionization and dissociative photoionization of isomeric radicals, acetyl (CH3CO) and vinoxy (CH2CHO), have been studied using synchrotron radiation double imaging photoelectron photoion coincidence (i2PEPICO) spectroscopy. Mass-selected threshold photoelectron spectra (ms-TPES) corresponding to the parent cations (m/z = 43, CH3CO+ and CH2CHO+) and their fragment ions (m/z = 15, CH3+) are measured and assigned based on theoretical calculations. The first and second bands of the ms-TPES of m/z = 43 are mainly unstructured due to the large molecular configuration chang

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Teles-Ferreira, Danielle Cristina, Ivo H. M. van Stokkum, Irene Conti, et al. "Coherent vibrational modes promote the ultrafast internal conversion and intersystem crossing in thiobases." Physical Chemistry Chemical Physics, 2022. http://dx.doi.org/10.1039/d2cp02073d.

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Thionated nucleobases are obtained by replacing oxygen with sulphur atoms in the canonical nucleobases. They absorb light efficiently in the near-ultraviolet, populating singlet states which undergo intersystem crossing to the...

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33

Li Wan-Jiao, Guan Yun-Xia, Bao Xi, et al. "Investigation of the exciton regulation mechanism of Alq<sub>3</sub>/HAT-CN tandem electroluminescent devices." Acta Physica Sinica, 2023, 0. http://dx.doi.org/10.7498/aps.72.20230973.

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Tandem organic electroluminescent devices (OLEDs) have attracted widespread attention due to their long lifetime and high current efficiency. In this study, a double-emitting unit tandem OLED was fabricated using Alq<sub>3</sub>/HAT-CN as an interconnect layer. Its photovoltaic properties and exciton regulation mechanism were investigated. The results show that the luminance (11189.86 cd/m<sup>2</sup>) and efficiency (13.85 cd/A) of the tandem OLED reached 2.7 times that of the single EL unit OLED (luminance and efficiency of 4007.14 cd/m<sup>2</sup> and 5.0

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Lognon, Elise, Alain Burger, Elise Dumont, and Antonio Monari. "Effect of Microhydration in Tuning the Photophysical Behavior of a Luminescent DNA Probe Revealed by Non‐Adiabatic Dynamics." ChemPhotoChem, April 17, 2024. http://dx.doi.org/10.1002/cptc.202400078.

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We report the non‐adiabatic dynamics, performed in the surface hopping formalism, of an environment‐dependent luminescent organic DNA probe. In particular we have shown that the first shell solvent water molecules undergo a rather complex reorganization upon light excitation. This involves also the triggering of a water‐mediated proton transfer process which leads to the formation of the tautomeric structure. The presence of this solvent‐mediated transfer mechanism globally diminishes the intersystem crossing efficiency, and hence the population of the triplet state manifold, as compared to th

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35

Ma, Meng-Yue, Yi-Ping Cai, and Qin-Hua Song. "Two Photocatalytic Pathways for Reductive Dearomatizations of N‐Arylformylindoles by a Visible‐light Triplet Organocatalyst." Advanced Synthesis & Catalysis, August 14, 2024. http://dx.doi.org/10.1002/adsc.202400759.

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A visible‐light triplet photocatalyst 5‐acetyl‐2‐mercapto‐benzoic acid methyl ester (AcBSH) was developed through introducing acetyl into benzenethiolate to improve the efficiency of intersystem crossing (ISC) and using o‐methoxyformyl to increase the molar extinction coefficient. In the photocatalytic system of AcBSH, the reductive dearomatization of N‐arylformylindoles is achieved to afford the desired indolines in moderate to excellent yields, including both indoles without (1) and with 2‐substituent (2). The 2‐substituent is a steric hindrance for the conjugation between benzoyl and indole

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36

Ghosh, Paulami, Stephen O. Ajagbe, and Samer Gozem. "The Photophysical Path to the Triplet State in Light‐Oxygen‐Voltage (LOV) Domains." Chemistry – A European Journal, March 4, 2025. https://doi.org/10.1002/chem.202500117.

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Upon blue‐light absorption, LOV domains efficiently undergo intersystem crossing (ISC) to the triplet state. The efficiency of this ISC is said to arise from a heavy atom effect of the nearby (eventually adduct‐forming) cysteine. However, LOV domain derivatives missing the cysteine residue still undergo ISC efficiently. Using hybrid multireference QM / MM models, we investigated the effect of the electrostatic environment in a prototypal LOV domain, AtLOV2, compared to the effect of the dielectric of an aqueous solution. We find that the electrostatic environment of AtLOV2 is especially well t

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Ramirez, Ivan, Alberto Privitera, Safakath Karuthedath, et al. "The role of spin in the degradation of organic photovoltaics." Nature Communications 12, no. 1 (2021). http://dx.doi.org/10.1038/s41467-020-20601-6.

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AbstractStability is now a critical factor in the commercialization of organic photovoltaic (OPV) devices. Both extrinsic stability to oxygen and water and intrinsic stability to light and heat in inert conditions must be achieved. Triplet states are known to be problematic in both cases, leading to singlet oxygen production or fullerene dimerization. The latter is thought to proceed from unquenched singlet excitons that have undergone intersystem crossing (ISC). Instead, we show that in bulk heterojunction (BHJ) solar cells the photo-degradation of C60 via photo-oligomerization occurs primari

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Gillett, Alexander J., Claire Tonnelé, Giacomo Londi, et al. "Spontaneous exciton dissociation enables spin state interconversion in delayed fluorescence organic semiconductors." Nature Communications 12, no. 1 (2021). http://dx.doi.org/10.1038/s41467-021-26689-8.

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AbstractEngineering a low singlet-triplet energy gap (ΔEST) is necessary for efficient reverse intersystem crossing (rISC) in delayed fluorescence (DF) organic semiconductors but results in a small radiative rate that limits performance in LEDs. Here, we study a model DF material, BF2, that exhibits a strong optical absorption (absorption coefficient = 3.8 × 105 cm−1) and a relatively large ΔEST of 0.2 eV. In isolated BF2 molecules, intramolecular rISC is slow (delayed lifetime = 260 μs), but in aggregated films, BF2 generates intermolecular charge transfer (inter-CT) states on picosecond time

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Shen, Jian, Liuhong Pan, Xujing Zhang, et al. "Delivering Singlet Oxygen in Dark Condition With an Anthracene-Functionalized Semiconducting Compound for Enhanced Phototheranostics." Frontiers in Bioengineering and Biotechnology 10 (March 9, 2022). http://dx.doi.org/10.3389/fbioe.2022.781766.

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Photodynamic therapy (PDT) utilizes the photogeneration of reactive oxygen species (ROS) with high cytotoxicity to kill cancer cells, holding great promise for cancer treatment. Fractionated delivery of singlet oxygen (1O2) is a wise approach to relieving hypoxia, thus enhancing the therapeutic efficacy. In this article, an anthracene-functionalized semiconducting compound (DPPA) has been designed and synthesized. With irradiation, the compound is able to undergo efficient intersystem crossing (ISC) and non-radioactive decay for photodynamic/photothermal synergistic therapy. In addition, the a

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S Bozzi, Aline, and Willian R. Rocha. "Photophysics and Excited State Reactions of [Ru(bpy)2dppn]2+: A Computational Study." Chemistry – An Asian Journal, August 26, 2024. http://dx.doi.org/10.1002/asia.202400605.

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In this work, we used DFT and TD‐DFT in the investigation of the structural parameters and photophysics of the complex [Ru(bpy)2dppn]2+ (dppn = benzo[i]‐dipyrido[3,2‐ a:2’,3’‐c]phenazine) in water, and its suitability as a photosensitizer (PS) in photodynamic therapy (PDT). For that, the thermodynamics of electron transfer (ET) and energy transfer (ENT) reactions in the excited state with molecular oxygen and guanosine‐5’‐monophosphate (GMP) were investigated. The overall intersystem crossing (ISC) rate constant was approximately 1012 s‐1, indicating that this process is highly favorable, and

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Tong, Ka-Ming, Jessica Toigo, Saeid Kamal, Brian O. Patrick, and Michael O. Wolf. "Luminescent Platinum(II) Complexes with Stimuli‐Responsive Flexible Lewis Pair Ligands: Spectroscopic and Computational Studies." Chemistry – A European Journal, July 15, 2024. http://dx.doi.org/10.1002/chem.202401657.

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A series of new luminescent bimetallic platinum(II) complexes with stimuli‐responsive flexible Lewis pair (FlexLP) ligands are described. The FlexLP ligands consist of a dimesitylboron Lewis acid and diphenylphosphine oxide Lewis base which are in equilibrium between the unbound open form and the Lewis adduct, controlled by the hydrogen bond donating strength of the solvent. Spectroscopic techniques and density functional theory (DFT) calculations were used to interpret the photophysics of the platinum(II) complexes. All complexes exhibit tunable absorption in the region of 300–500 nm and gree

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Sun, Chen, Yukong Li, Jinlin Yin, et al. "Highly Stable MOF‐Type Lead Halide Luminescent Ferroelectrics." Angewandte Chemie International Edition, May 14, 2024. http://dx.doi.org/10.1002/anie.202407102.

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Lead halide molecular ferroelectrics represent an important class of luminescent ferroelectrics, distinguished by their high chemical and structural tunability, excellent processability and distinctive luminescent characteristics. However, their inherent instability, prone to decomposition upon exposure to moisture and light, hinders their broader ferroelectric applications. Herein, for the first time, we present a series of isoreticular metal‐organic framework (MOF)‐type lead halide luminescent ferroelectrics, demonstrating exceptional robustness under ambient conditions for at least 15 month

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Sun, Chen, Yukong Li, Jinlin Yin, et al. "Highly Stable MOF‐Type Lead Halide Luminescent Ferroelectrics." Angewandte Chemie, May 14, 2024. http://dx.doi.org/10.1002/ange.202407102.

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Lead halide molecular ferroelectrics represent an important class of luminescent ferroelectrics, distinguished by their high chemical and structural tunability, excellent processability and distinctive luminescent characteristics. However, their inherent instability, prone to decomposition upon exposure to moisture and light, hinders their broader ferroelectric applications. Herein, for the first time, we present a series of isoreticular metal‐organic framework (MOF)‐type lead halide luminescent ferroelectrics, demonstrating exceptional robustness under ambient conditions for at least 15 month

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Delcanale, Pietro, Stefania Abbruzzetti, and Cristiano Viappiani. "Photodynamic treatment of pathogens." La Rivista del Nuovo Cimento, March 15, 2022. http://dx.doi.org/10.1007/s40766-022-00031-4.

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AbstractThe current viral pandemic has highlighted the compelling need for effective and versatile treatments, that can be quickly tuned to tackle new threats, and are robust against mutations. Development of such treatments is made even more urgent in view of the decreasing effectiveness of current antibiotics, that makes microbial infections the next emerging global threat. Photodynamic effect is one such method. It relies on physical processes proceeding from excited states of particular organic molecules, called photosensitizers, generated upon absorption of visible or near infrared light.

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Han, Fuping, Xiao Zhou, Zhaolong Wang, et al. "Red‐Light Triggered H‐Abstraction Photoinitiators for the Efficient Oxygen‐Independent Therapy of Hypoxic Tumors." Angewandte Chemie, July 3, 2024. http://dx.doi.org/10.1002/ange.202408769.

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The clinical application of photodynamic therapy (PDT) is limited by oxygen‐dependence and side effects caused by photosensitizer residues. Photoinitiators based on the H‐abstraction reaction can address these challenges because they can generate alkyl radical‐killing cells independently of oxygen and undergo rapid bleaching following H‐abstraction. Nonetheless, the development of photoinitiators for PDT has been impeded by the absence of effective design strategies. Herein, we have developed aryl‐ketone substituted cyanine (ACy‐R), the first red‐light triggered H‐abstraction photoinitiators f

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Han, Fuping, Xiao Zhou, Zhaolong Wang, et al. "Red‐Light Triggered H‐Abstraction Photoinitiators for the Efficient Oxygen‐Independent Therapy of Hypoxic Tumors." Angewandte Chemie International Edition, July 3, 2024. http://dx.doi.org/10.1002/anie.202408769.

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The clinical application of photodynamic therapy (PDT) is limited by oxygen‐dependence and side effects caused by photosensitizer residues. Photoinitiators based on the H‐abstraction reaction can address these challenges because they can generate alkyl radical‐killing cells independently of oxygen and undergo rapid bleaching following H‐abstraction. Nonetheless, the development of photoinitiators for PDT has been impeded by the absence of effective design strategies. Herein, we have developed aryl‐ketone substituted cyanine (ACy‐R), the first red‐light triggered H‐abstraction photoinitiators f

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47

Gaumerd, Vincent, Kévin Renault, Pierre-Yves Renard, and Anthony Romieu. "Revisiting the Chemistry and Photophysics of 3‐(N‐Methylpyridinium‐4‐yl)Coumarins for Designing "Covalent‐Assembly" and "Molecular Disassembly" Fluorescent Probes." ChemPhotoChem, January 9, 2024. http://dx.doi.org/10.1002/cptc.202300324.

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The constant need for high‐performance aniline‐ or phenol‐based fluorophores suitable for the construction of activity‐based fluorescent probes, led us to study both synthesis and photophysics of C3‐N‐methylpyridinium‐4‐yl substituted 7‐(dialkylamino)/7‐hydroxycoumarins. Indeed, in the field of photoactive organic molecules, the positively charged N‐alkylpyridinium‐4‐yl groups are often used as acceptor units to dramatically impact spectral features through promoting intramolecular charge transfer (ICT) processes. They are also known as effective water‐solubilizing and mitochondria targeting m

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Li, Wanjiao, Xi Bao, Cheng Wang, et al. "Exploring charge generation and separation in tandem organic light-emitting diodes based on magneto-electroluminescence." Nanotechnology, December 27, 2023. http://dx.doi.org/10.1088/1361-6528/ad18e4.

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Abstract 5,6,11,12-tetraphenylnaphthacene (rubrene) exhibits resonant energy properties (ES1,rub≈2ET1,rub), resulting in rubrene-based OLED devices that undergo singlet fission (STT) process at room temperature. This unique process gives rise to a distinct magneto-electroluminescence (MEL) profile, differing significantly from the typical intersystem crossing (ISC) process. Therefore, toward investigate charge generation and separation in the interconnector, and the mechanism of charge transport in tandem OLEDs at room temperature using MEL tools. This paper fabricates tandem OLEDs composed of

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Bo, Yifan, Yuxuan Hou, Melchor Matabuena, Rik R. Tykwinski, and Dirk M. Guldi. "Intramolecular Down‐ and Up‐Conversion in Dimeric Tetracene Complexes Centered via Platinum(II) and Palladium(II)." Advanced Functional Materials, May 13, 2025. https://doi.org/10.1002/adfm.202426055.

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AbstractTwo dimeric tetracene complexes, Pt(Ltc)2Cl2 and Pd(Ltc)2Cl2, have been synthesized by coordination of a pyridyl substituted acene‐ to a Pt(II) and Pd(II) metal center. The photophysical properties of the two dimers are characterized and compared with the free tetracene ligand Ltc, as well as the corresponding monomeric complexes (Pt(Ltc)(Lref)Cl2 and Pd(Ltc)(Lref)Cl2) to shed light on the processes of intramolecular up‐ and down‐conversion, namely triplet‐triplet annihilation and singlet fission, respectively. Both the free ligand Ltc and Pt(Ltc)(Lref)Cl2 show high fluorescence quantu

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Adeniyi, Adebayo A., Jeanet Conradie, and Karel G. Von Eschwege. "Theoretical study of the photoisomerization of 1,2-bispyrazinyl-ethylene and the halogen ion salts of 1-Pyrazinyl-2-(4’-methylpyrazinyl)ethylene." Journal of Molecular Modeling 30, no. 4 (2024). http://dx.doi.org/10.1007/s00894-024-05881-9.

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Abstract Context It has been reported that photoexcitation of azastilbene compounds like E-1,2-bispyrazinyl-ethylene (bpe) can undergo E → Z photoisomerization of its quaternary salts via the excited triplet state. However, experimentally it is possible to get low fluorescence and photoisomerisation quantum yields in a state with higher internal conversion than intersystem crossing. We modelled bpe and its methylated derivative (bpeMe), as well as its quaternary halogen salts (bpeMeX with X = F−, Cl−, Br− and I−) to study levels of fluorescence, phosphorescence and excited state potential ener

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