Optical and electronic properties of neutral and charged oligodiacetylene clusters
Literature Information
The collective electronic oscillator (CEO) approach recently proposed by Mukamel, which is based on an INDO/S Hamiltonian in the framework of the time-dependent Hartree–Fock approximation, is used to investigate the effect of the supramolecular architecture on the photogenerated excitations in different aggregates of a large-sized oligodiacetylene. The method gives the transition energies and the corresponding one-electron transition density matrices directly, which allows one to analyze, in terms of electron–hole motions in real space, the electronic redistribution upon photon absorption. Electronic excitations depend strongly on the arrangement of the oligomer molecules in the cluster, appreciable interchain effects being obtained even when the arrangement of the oligomer molecules corresponds to a minimum interchain interaction. Interchain interactions give rise to new transitions whose oscillator strengths depend on the nature of the aggregate (neutral or charged), and which can significantly modify the optical properties of the isolated molecular system.
Related Literature
Impact of polymer chemistry on the application of polyurethane/ureas in organic thin film transistors
Youbing Mu, Qian Sun, Xiaobo Wan
DOI: 10.1039/D3LP00106G
Highly selective Ag foam gas diffusion electrodes for CO2 electroreduction by pulsed hydrogen bubble templation
Hendrik Hoffmann, Maximilian Kutter, Jens Osiewacz, Melanie-Cornelia Paulisch-Rinke, Steffen Lechner, Barbara Ellendorff, Annika Hilgert, Ingo Manke, Thomas Turek, Christina Roth
DOI: 10.1039/D3EY00220A
Strengthening ethylene-methacrylic acid ionomers with single-boron-based molecules as cross-linkers in dynamic networking
Peng Wen, Yang Zeng, Lu Zhang, Tao Wang, Jeffrey M. Cogen, Colin Li Pi Shan, Yixuan Liu, Mao Chen
DOI: 10.1039/D3LP00178D
Enhanced H2 production at the atomic Ni–Ce interface following methanol steam reforming
Yaqi Hu, Zhong Liang, Yabin Zhang
DOI: 10.1039/D3EY00225J
Recent progress in non-fused ring electron acceptors for high performance organic solar cells
Huanhuan Gao, Chenyang Han, Xiangjian Wan, Yongsheng Chen
DOI: 10.1039/D2IM00037G
Chitosan/PVA-supported silver nanoparticles for azo dyes removal: fabrication, characterization, and assessment of antioxidant activity
Ismet Meydan, Aysenur Aygun, Rima Nour Elhouda Tiri, Tugba Gur, Yılmaz Kocak, Hamdullah Seckin, Fatih Sen
DOI: 10.1039/D3VA00224A
A unified understanding of magnetorheological elastomers for rapid and extreme stiffness tuning
Ella T. Williams, Nathan Lazarus
DOI: 10.1039/D3LP00109A
Harnessing single-atom catalysts for CO2 electroreduction: a review of recent advances
Chang Chen, Jiazhan Li, Xin Tan, Yu Zhang, Yifan Li, Chang He, Zhiyuan Xu, Chao Zhang, Chen Chen
DOI: 10.1039/D3EY00150D
Reaction microenvironment control in membrane electrode assemblies for CO2 electrolysis
Dunfeng Gao, Juan-Jesús Velasco-Vélez, Guoxiong Wang
DOI: 10.1039/D3EY00155E
Direct ink writing of polyimide aerogels for battery thermal mitigation
Ciera E. Cipriani, Donald A. Dornbusch, Stephanie L. Vivod
DOI: 10.1039/D3LP00200D
You might also like
How should waste containing (6-Bromo-2-naphthyl)oxy](dimethyl)(2-methyl-2-propanyl)silane be handled?
Waste containing (6-Bromo-2-naphthyl)oxy](dimethyl)(2-methyl-2-propanyl)silane (...
How is 7-Fluoro-4-isoquinolinecarboxylic acid (CAS: 1841081-40-0) typically synthesized?
7-Fluoro-4-isoquinolinecarboxylic acid can be synthesized via a multi-step proce...
What are the physical and chemical properties of 2,3,5,6-Tetrabromothieno[3,2-b]thiophene (CAS: 124638-53-5)?
2,3,5,6-Tetrabromothieno[3,2-b]thiophene is a crystalline compound with a high m...
Is 1-[4-(Benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide (CAS: 1542705-92-9) safe?
1-[4-(Benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indol...
What is the market or research trend for imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylic acid, 3,4-dihydro-3-methyl-4-oxo- (CAS: 113942-30-6)?
The market for imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylic acid, 3,4-dihydro-3...
What is 3-(Triisopropylsilyl)propiolaldehyde (CAS: 163271-80-5)?
3-(Triisopropylsilyl)propiolaldehyde is a synthetic organic compound with the CA...
What regulatory guidelines apply to 6-Nitro-2H-1,4-benzoxazin-3(4H)-one (CAS: 81721-87-1)?
6-Nitro-2H-1,4-benzoxazin-3(4H)-one (CAS: 81721-87-1) is subject to various regu...
How should waste containing (3-Fluorophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid (CAS: 885272-91-3) be handled?
Waste containing (3-Fluorophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piper...
What are the physical and chemical properties of N,N'-4,4'-Biphenyldiyldiisonicotinamide (CAS: 55119-40-9)?
N,N'-4,4'-Biphenyldiyldiisonicotinamide is a white crystalline solid with a mole...
What industries use 6-Bromo-8-fluoro-2-quinazolinol (CAS: 1036756-15-6)?
6-Bromo-8-fluoro-2-quinazolinol is primarily used in the pharmaceutical industry...
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.












![2,2'-{2,2-Propanediylbis[(2,6-dibromo-4,1-phenylene)oxy]}diethanol structure 2,2'-{2,2-Propanediylbis[(2,6-dibromo-4,1-phenylene)oxy]}diethanol structure](https://static.chemtradehub.com/structs/416/4162-45-2-b3d6.webp)

