Modelling the vibrationally mediated photo-dissociation of acetylene
Literature Information
Christopher Robertson, Graham A. Worth
A ten singlet state vibronic coupling Hamiltonian was constructed describing the seven internal coordinates of acetylene. A Σ+g symmetry-adapted polynomial expansion of the nuclear coordinates over diabatic elements was used to fit adiabatic energies obtained from ab initio calculations. The fitted vibronic Hamiltonian was subsequently used to model vibrationally mediated photo-dissociation (VMD) experiments. The model suggests that some control over dissociation channels might be achieved by choosing different ranges of pre-excitation and UV-excitation energies.
Related Literature
Multicolor mechanochromism of a multinetwork elastomer that can distinguish between low and high stress
Haoxiang Wang, Lei Shen
DOI: 10.1039/D1PY00637A
NMR investigations of polytrifluoroethylene (PTrFE) synthesized by RAFT
Vincent Bouad, Marc Guerre, Sami Zeliouche, Bruno Améduri, Cédric Totée, Gilles Silly, Rinaldo Poli, Vincent Ladmiral
DOI: 10.1039/D0PY01753A
Purpurin derivatives as visible-light photosensitizers for 3D printing and valuable biological applications
Pauline Sautrot-Ba, Vlasta Brezová, Jean-Pierre Malval, Annalisa Chiappone, Louise Breloy, Samir Abbad-Andaloussi, Davy-Louis Versace
DOI: 10.1039/D1PY00126D
Nitroreductase-responsive polymeric micelles based on 4-nitrobenzyl and AIE moieties for intracellular doxorubicin release
Xue-Yi Sun, Ya-Xuan Liang, Cheng-Yan Wu, Quan Tang, Rui Liu, Zhong-Lin Lu, Lan He
DOI: 10.1039/D1PY00232E
Synthetic approaches for copolymers containing nucleic acids and analogues: challenges and opportunities
Hao Lu, Jiansong Cai, Ke Zhang
DOI: 10.1039/D0PY01707H
Synthesis of well-defined diblock copolymer nano-objects by RAFT non-aqueous emulsion polymerization of N-(2-acryloyloxy)ethyl pyrrolidone in non-polar media
R. R. Gibson, A. Fernyhough, O. M. Musa, S. P. Armes
DOI: 10.1039/D1PY00572C
Detection and evaluation of polymer–polymer interactions in dilute solutions of associating polymers
Georges M. Pavlov, Anna A. Gosteva, Olga V. Okatova, Olga A. Dommes, Irina I. Gavrilova
DOI: 10.1039/D0PY01725F
Engineering of pH-triggered nanoplatforms based on novel poly(2-methyl-2-oxazoline)-b-poly[2-(diisopropylamino)ethyl methacrylate] diblock copolymers with tunable morphologies for biomedical applications
Peter Černoch, Alessandro Jager, Zulfiya Černochová, Vladimir Sincari, Lindomar J. C. Albuquerque, Rafal Konefal, Ewa Pavlova, Fernando C. Giacomelli, Eliezer Jager
DOI: 10.1039/D1PY00141H
You might also like
How should waste containing 2-Ethyl-4-Methyl-1H-Imidazole-5-Carbaldehyde (CAS: 88634-80-4) be handled?
Waste containing 2-Ethyl-4-Methyl-1H-Imidazole-5-Carbaldehyde (CAS: 88634-80-4) ...
What industries use Triethoxy(octyl)silane (CAS: 1385031-14-0)?
Triethoxy(octyl)silane (CAS: 1385031-14-0) is widely used in the pharmaceuticals...
Are there alternatives to 3-iodo-7-nitro-1H-indazole (CAS: 864724-64-1) in synthesis?
Several alternatives to 3-iodo-7-nitro-1H-indazole (CAS: 864724-64-1) exist in t...
Are there alternatives to Benzene, bis[(trimethoxysilyl)ethyl] (CAS: 266317-71-9) in synthesis?
Yes, there are alternatives to Benzene, bis[(trimethoxysilyl)ethyl] (CAS: 266317...
Is Isothiazole-3-carbonitrile (CAS: 1452-17-1) safe?
Isothiazole-3-carbonitrile (CAS: 1452-17-1) is generally considered safe when us...
Is (3-Chlorophenyl)methanol (CAS: 873-63-2) safe?
(3-Chlorophenyl)methanol (CAS: 873-63-2) is considered low to moderately toxic. ...
How is (2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(2-naphthyl)propanoic acid (CAS: 959583-98-3) typically synthesized?
(2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(2-naphthyl)pr...
What precautions should be taken when handling Methyl 2-(bromomethyl)-5-methoxybenzoate (CAS: 788081-99-2)?
Proper handling of methyl 2-(bromomethyl)-5-methoxybenzoate requires the use of ...
What is 6,8-Dibromoimidazo[1,2-a]pyridine-2-carboxylic acid (CAS: 904805-36-3)?
6,8-Dibromoimidazo[1,2-a]pyridine-2-carboxylic acid (CAS: 904805-36-3) is an aro...
Is 3-Amino-5-bromo-2-pyridinecarbonitrile (CAS: 573675-27-1) safe?
3-Amino-5-bromo-2-pyridinecarbonitrile is considered safe when handled under pro...
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'-[(Abieta-8,11,13-trien-18-ylimino)bis(2,1-ethanediyloxy)]diethanol structure 2,2'-[(Abieta-8,11,13-trien-18-ylimino)bis(2,1-ethanediyloxy)]diethanol structure](https://static.chemtradehub.com/structs/513/51344-62-8-8518.webp)
![4,4'-[2,5-Biphenyldiylbis(oxy)]dianiline structure 4,4'-[2,5-Biphenyldiylbis(oxy)]dianiline structure](https://static.chemtradehub.com/structs/941/94148-67-1-24c6.webp)


