Identification of a receiver triplet state in the ultrafast intersystem crossing of carbonylpyrenes
Literature Information
Lekshmi R. S., Gayathri B. Kurup, Sivaranjana Reddy Vennapusa
The near-unity triplet quantum yield of photoexcited carbonyl functionalized pyrenes is theoretically investigated. The estimated energetics of singlet–triplet manifolds and relevant spin–orbit coupling parameters strongly suggest triplet state formation via the S1 → T4/T5 pathway. Quantum wavepacket dynamics of triplet manifolds within the linear vibronic coupling approach reveal that the receiver triplet state would undergo rapid internal conversion decay to the lower triplet state(s), facilitating efficient triplet generation by minimizing the reverse intersystem crossing possibilities. On the basis of these results, a unified mechanism is proposed to describe the ultrafast intersystem crossing process in these molecules.
Related Literature
Correction: Facile synthesis of novel NH2-MIL-53(Fe)/AgSCN heterojunction composites as a highly efficient photocatalyst for ciprofloxacin degradation and H2 production under visible-light irradiation
Jungang Yi, Xianghui Wu, Huadong Wu, Jia Guo
DOI: 10.1039/D1RE90046C
Multi-scale reactive extrusion modelling approaches to design polymer synthesis, modification and mechanical recycling
Kyann De Smit, Yoshi W. Marien, Paul H. M. Van Steenberge, Mariya Edeleva
DOI: 10.1039/D1RE00556A
Proton conducting membranes for hydrogen and ammonia production
Guowei Weng, Kun Ouyang, Xuanhe Lin, Jian Xue, Haihui Wang
DOI: 10.1039/D1RE00207D
Microfluidic fabrication of hydrogel microparticles with MOF-armoured multi-enzymes for cascade biocatalytic reactions
Yan Zhang, Bi-Cong Wang, Po Wang, Mao-Jie Zhang
DOI: 10.1039/D1RE00257K
Kinetic and mechanistic insights into Ni-AlKIT-6 catalyzed ethylene oligomerization
Remi Beucher, Vasile Hulea, Claudia Cammarano
DOI: 10.1039/D1RE00258A
Highly permeable polymers for gas separation membranes
Peter M. Budd, Neil B. McKeown
DOI: 10.1039/B9PY00319C
Efficient synthesis of photoresponsive azobenzene-containing side-chain liquid crystalline polymers with high molecular weights by click chemistry
Zhibin Li, Ying Zhang, Lirong Zhu, Tao Shen, Huiqi Zhang
DOI: 10.1039/C0PY00138D
You might also like
What precautions should be taken when handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2)?
When handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2), it is importan...
Is 4-(4H-1,2,4-Triazol-4-yl)piperidine (CAS: 690261-92-8) safe?
4-(4H-1,2,4-Triazol-4-yl)piperidine is generally considered safe for use in phar...
How should waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) be handled?
Waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) should be collecte...
What regulatory guidelines apply to 5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3)?
5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3) is subject to regulat...
How is Methyl 3-acetamido-2-thiophenecarboxylate (CAS: 22288-79-5) typically synthesized?
Methyl 3-acetamido-2-thiophenecarboxylate can be synthesized by the reaction of ...
What is 4-Isoquinolinecarbonitrile (CAS: 34846-65-6)?
4-Isoquinolinecarbonitrile is a chemical compound with the CAS number 34846-65-6...
How should Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) be stored?
Store Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) in a cool, dry p...
What regulatory guidelines apply to 6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8)?
6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8) is subject to the...
Is (2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) safe?
(2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) ...
What are the physical and chemical properties of 7-bromo-3-methyl-3,4-dihydroquinazolin-4-one (CAS: 1293987-84-4)?
7-Bromo-3-methyl-3,4-dihydroquinazolin-4-one is a solid with a crystalline form....
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










![1-[4-(4-Methyl-1H-imidazol-1-yl)phenyl]ethanone structure 1-[4-(4-Methyl-1H-imidazol-1-yl)phenyl]ethanone structure](https://static.chemtradehub.com/structs/142/142161-53-3-7f55.webp)
![(1R,5R)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azabicyclo[3.1.0]hexane-1-carboxylic acid structure (1R,5R)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azabicyclo[3.1.0]hexane-1-carboxylic acid structure](https://static.chemtradehub.com/structs/116/1165450-63-4-bfe1.webp)

![(R)-N-[(S)-1-[2-(Diphenylphosphino)phenyl]ethyl]-2-methylpropane-2-sulfinamide structure (R)-N-[(S)-1-[2-(Diphenylphosphino)phenyl]ethyl]-2-methylpropane-2-sulfinamide structure](https://static.chemtradehub.com/structs/159/1595319-98-4-33e7.webp)
